SCHEMBL3474865

SCHEMBL3474865

Clc1ccc2oc(Nc3ccccc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
ALDH1A1 P00352 1/20 0.66
PKM P14618 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
FBP1 P09467 6/20 0.60
KCNH2 Q12809 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HDAC6 Q9UBN7 1/20 0.59
CASP3 P42574 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 1/20 0.56
KDM4E B2RXH2 1/20 0.53
FAAH O00519 1/20 0.53

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
SCHEMBL3950826 0.89 KDM4E (0.59) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19899736 0.86 NPC1 (0.60) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL25248374 0.85 IL6 (0.61) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14268619 0.85 FBP1 (0.62) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3814734 0.85 KCNH2 (0.53) GAAFBP1KCNH2MEN1KMT2A
SCHEMBL12095337 0.82 FBP1 (0.54) GAAFBP1KCNH2MEN1KMT2A
SCHEMBL29862435 0.81 IL6 (0.72) GAASMN1; SMN2ALDH1A1FBP1KCNH2
SCHEMBL12095512 0.81 IL6 (0.72) GAASMN1; SMN2ALDH1A1FBP1KCNH2
SCHEMBL3949035 0.81 NPC1 (0.71) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13436713 0.81 RAB9A (0.66) GAASMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102834098-B Benzheterocyclic derivatives for cancerous precaution and treatment or the purposes suppressing cancerometastasis Medical life fusion research group (KR) 2016-01-20 CN claimed
EP-2497471-B1 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS SNU R&DB FOUNDATION (KR) 2015-04-15 EP claimed
CN-102834098-A Use of benzo-heterocycle derivatives for preventing and treating cancer or for inhibiting cancer metastasis SNU R&DB FOUNDATION 2012-12-19 CN claimed
US-20120283300-A1 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS SNU R&DB FOUNDATION (KR) 2012-11-08 US claimed
EP-2497471-A2 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS SNU R&DB Foundation (KR) 2012-09-12 EP claimed
EP-1034176-A1 THIOPHENE-SULFONAMIDE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-09-13 EP claimed
WO-1999028316-A1 THIOPHENE-SULFONAMIDE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO claimed
US-10130611-B2 Use of benzo-heterocycle derivatives for preventing and treating cancer or for inhibiting cancer metastasis MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2018-11-20 US disclosed
CN-102834098-B Benzheterocyclic derivatives for cancerous precaution and treatment or the purposes suppressing cancerometastasis Medical life fusion research group (KR) 2016-01-20 CN disclosed
EP-2497471-B1 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS SNU R&DB FOUNDATION (KR) 2015-04-15 EP disclosed
CN-102834098-A Use of benzo-heterocycle derivatives for preventing and treating cancer or for inhibiting cancer metastasis SNU R&DB FOUNDATION 2012-12-19 CN disclosed
US-20120283300-A1 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS SNU R&DB FOUNDATION (KR) 2012-11-08 US disclosed
US-20120283300-A1 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS SNU R&DB FOUNDATION (KR) 2012-11-08 US disclosed
EP-2497471-A2 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS SNU R&DB Foundation (KR) 2012-09-12 EP disclosed
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed
EP-1034176-A1 THIOPHENE-SULFONAMIDE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-09-13 EP disclosed
WO-1999028316-A1 THIOPHENE-SULFONAMIDE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 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 (2 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-10130611-B2 Use of benzo-heterocycle derivatives for preventing and treating cancer or for inhibiting cancer metastasis MKI67, KISS1R, NPY1R GAA 977/4885SMN1; SMN2 4448/4885NPC1 2356/4885
US-20120283300-A1 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS MKI67, KISS1R, NPY1R GAA 977/4885SMN1; SMN2 4448/4885NPC1 2356/4885

“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.