SCHEMBL17487667

SCHEMBL17487667

CC(C)(O)CNc1nc2ccc(N)cc2n1Cc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
TBXA2R P21731 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NOD1 Q9Y239 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOD2 Q9HC29 1/20 0.40
P2RX3 P56373 10/20 0.40
SOS1 Q07889 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL17488121 0.87 SMN1; SMN2 (0.44) DRD2TBXA2RSMN1; SMN2LMNAHTT
SCHEMBL17487355 0.86 SMN1; SMN2 (0.44) DRD2TBXA2RSMN1; SMN2LMNAHTT
SCHEMBL17487335 0.85 KDM4E (0.46) DRD2TBXA2RSMN1; SMN2LMNAHTT
SCHEMBL17488001 0.85 SMN1; SMN2 (0.41) DRD2TBXA2RSMN1; SMN2LMNAHTT
SCHEMBL17488099 0.84 P2RX3 (0.46) DRD2TBXA2RSMN1; SMN2LMNAHTT
SCHEMBL17487341 0.84 DRD2 (0.46) DRD2TBXA2RSMN1; SMN2LMNAHTT
SCHEMBL17488303 0.83 SOS1 (0.43) DRD2TBXA2RSMN1; SMN2LMNAHTT
SCHEMBL18960412 0.82 P2RX3 (0.49) DRD2TBXA2RSMN1; SMN2LMNAHTT
SCHEMBL17487459 0.81 SOS1 (0.41) DRD2TBXA2RSMN1; SMN2LMNAHTT
SCHEMBL17487315 0.79 SOS1 (0.59) SMN1; SMN2HTTKDM4EALDH1A1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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 (1 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 DRD2 2624/4885TBXA2R 18/4885SMN1; SMN2 3381/4885

“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.