SCHEMBL712245

SCHEMBL712245

C1=CN(Cc2ccccc2)CC=C1c1nnc(-c2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ POLB P06746 3/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ RAB9A P51151 10/20 0.45
▸ NPC1 O15118 9/20 0.45
▸ SMN1; SMN2 Q16637 8/20 0.45
▸ HPGD P15428 5/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ATAD2 Q6PL18 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ TP53 P04637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27827661 0.81 SIGMAR1 (0.38) ALDH1A1RAB9AHPGDKDM4EMAPT
Bromide SCHEMBL28711468 0.80 SIGMAR1 (0.37) ALDH1A1RAB9AHPGDKDM4EMAPT
Hydrochloric Acid SCHEMBL27500541 0.80 SIGMAR1 (0.37) ALDH1A1RAB9AHPGDKDM4EKMT2A
SCHEMBL18133049 0.77 FAAH (0.38) ALDH1A1POLBKCNH2TSHRKDM4E
SCHEMBL9097301 0.75 P2RX7 (0.41) POLBKCNH2KDM4EMAPT
Hydrochloric Acid SCHEMBL28357122 0.74 P2RX7 (0.40) POLBKCNH2KDM4EMAPT
Bromide SCHEMBL29152398 0.74 P2RX7 (0.40) POLBKCNH2KDM4EMAPT
SCHEMBL31220302 0.73 SRPK1 (0.36) ALDH1A1KCNH2RAB9ANPC1KDM4E
SCHEMBL28261453 0.69 SIGMAR1 (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL28790693 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDTSHRMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153645-B2 Use of analgesics to treat chronic pain using sodium channel modulators ALLERGAN, INC. (US) 2012-04-10 — — US claimed
US-8124612-B2 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2012-02-28 — — US claimed
US-20060287366-A1 TREATING PAIN USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT EHRING GEORGE R 2006-12-21 — — US claimed
EP-1658065-A2 USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT TO TREAT NEUROLOGICAL DISORDERS AND PAIN Allergan, Inc. (US) 2006-05-24 — — EP claimed
US-20050054695-A1 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. 2005-03-10 — — US claimed
WO-2005020982-A2 USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT TO TREAT NEUROLOGICAL DISORDERS AND PAIN ALLERGAN, INC. (US) 2005-03-10 — — WO claimed
US-20050049287-A1 Treating pain using selective antagonists of persistent sodium current ALLERGAN, INC. 2005-03-03 — — US claimed
US-9738710-B2 Method of treating a patient for pain by administering an anti-ion channel antibody UCB BIOPHARMA SPRL (BE) 2017-08-22 — — US disclosed
US-9738710-B2 Method of treating a patient for pain by administering an anti-ion channel antibody UCB BIOPHARMA SPRL (BE) 2017-08-22 — — US disclosed
US-20160222107-A1 METHODS OF TREATING PAIN USING FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB BIOPHARMA SPRL (BE) 2016-08-04 — — US disclosed
US-20160222107-A1 METHODS OF TREATING PAIN USING FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB BIOPHARMA SPRL (BE) 2016-08-04 — — US disclosed
US-9266953-B2 Methods of treating pain using function modifying NAv1.7 antibodies UCB BIOPHARMA SPRL (BE) 2016-02-23 — — US disclosed
US-9266953-B2 Methods of treating pain using function modifying NAv1.7 antibodies UCB BIOPHARMA SPRL (BE) 2016-02-23 — — US disclosed
US-7060723-B2 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2006-06-13 — — US disclosed
EP-1658065-A2 USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT TO TREAT NEUROLOGICAL DISORDERS AND PAIN Allergan, Inc. (US) 2006-05-24 — — EP disclosed
US-20060106112-A1 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2006-05-18 — — US disclosed
US-20060106103-A1 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2006-05-18 — — US disclosed
US-20050054695-A1 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. 2005-03-10 — — US disclosed
WO-2005020982-A2 USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT TO TREAT NEUROLOGICAL DISORDERS AND PAIN ALLERGAN, INC. (US) 2005-03-10 — — WO disclosed
US-20050049287-A1 Treating pain using selective antagonists of persistent sodium current ALLERGAN, INC. 2005-03-03 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050049287-A1 Treating pain using selective antagonists of persistent sodium current KCNN3, KCNN2, SCN1B ALDH1A1 1368/4885POLB 4446/4885KCNH2 59/4885
US-20050054695-A1 Treating neurological disorders using selective antagonists of persistent sodium current SCN1A, KCNN2, KCNN1 ALDH1A1 1870/4885POLB 4599/4885KCNH2 57/4885
US-20060106112-A1 Treating neurological disorders using selective antagonists of persistent sodium current SCN1A, KCNN2, KCNN1 ALDH1A1 1870/4885POLB 4599/4885KCNH2 57/4885
US-20160222107-A1 METHODS OF TREATING PAIN USING FUNCTION MODIFYING NAv1.7 ANTIBODIES SCN7A, SCN3A, SCN1A ALDH1A1 3169/4885POLB 3908/4885KCNH2 57/4885
US-20060287366-A1 TREATING PAIN USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT KCNN3, KCNN2, SCN1B ALDH1A1 1368/4885POLB 4446/4885KCNH2 59/4885
US-20060106103-A1 Treating neurological disorders using selective antagonists of persistent sodium current SCN1A, KCNN2, KCNN1 ALDH1A1 1870/4885POLB 4599/4885KCNH2 57/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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