SCHEMBL20303884

SCHEMBL20303884

COc1nc(Br)c([N+](=O)[O-])cc1OCCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ TXNRD1 Q16881 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ EHMT2 Q96KQ7 3/20 0.43
▸ EHMT1 Q9H9B1 3/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SPIN1 Q9Y657 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LTA4H P09960 1/20 0.40

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
SCHEMBL21198940 0.90 CYP2D6 (0.56) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL30946637 0.90 CYP2D6 (0.56) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL20303961 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL20303828 0.81 HRH3 (0.46) ALDH1A1KDM4ETXNRD1LMNARAB9A
SCHEMBL30946652 0.77 CYP1A2 (0.62) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL21198909 0.77 CYP1A2 (0.62) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL25873500 0.77 CYP2D6 (0.58) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL30423969 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ELMNACYP2D6TDP1
SCHEMBL3735675 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ELMNACYP2D6TDP1
SCHEMBL20028146 0.76 EHMT2 (0.55) ALDH1A1KDM4EMEN1LMNAKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4063358-B1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2024-05-22 — — EP disclosed
US-11713299-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-08-01 — — US disclosed
EP-4063358-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2022-09-28 — — EP disclosed
EP-3558971-B1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2022-02-23 — — EP disclosed
US-20210107876-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2021-04-15 — — US disclosed
US-10829452-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 — — US disclosed
EP-3558971-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2019-10-30 — — EP disclosed
US-20180186745-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-05 — — US disclosed
WO-2018119208-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-06-28 — — WO 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 (4 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-20180186745-A1 HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, EZH2 ALDH1A1 1839/4885KDM4E 55/4885TXNRD1 575/4885
US-10829452-B2 Histone methyltransferase inhibitors EHMT1, DOT1L, EHMT2 ALDH1A1 492/4885KDM4E 48/4885TXNRD1 1257/4885
US-20210107876-A1 HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, EZH2 ALDH1A1 1839/4885KDM4E 55/4885TXNRD1 575/4885
US-11713299-B2 Histone methyltransferase inhibitors EHMT1, DOT1L, EHMT2 ALDH1A1 420/4885KDM4E 48/4885TXNRD1 1380/4885

“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.

Send feedback