SCHEMBL4046110

SCHEMBL4046110

Fc1ccc(-c2c[nH][c]n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX5 P09917 1/20 0.37
CA12 O43570 1/20 0.36
ALPL P05186 1/20 0.36
RPA1 P27694 1/20 0.36
NPC1 O15118 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
ATM Q13315 1/20 0.34
CRHR2 Q13324 1/20 0.34
RAD51 Q06609 1/20 0.34
ALOX15 P16050 1/20 0.34
CDC7 O00311 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL27584582 0.79 METAP2 (0.42) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL1202001 0.79 NOTUM (0.42) RAB9AALDH1A1ALOX5CA12ALPL
SCHEMBL4049874 0.79 NOTUM (0.34)
SCHEMBL27606211 0.79 METAP2 (0.42) RAB9AALDH1A1ALPLNPC1MEN1
SCHEMBL4047707 0.79 AKT1 (0.42) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL1119940 0.79 METAP2 (0.42) RAB9AALDH1A1ALPLNPC1MEN1
SCHEMBL6002890 0.79 NOTUM (0.41) RAB9AALDH1A1NPC1MAPK1MAPT
SCHEMBL4049982 0.79 KIF11 (0.44) MEN1KMT2ARAD51KDM4E
SCHEMBL63014 0.78 RAB9A (0.41) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL2093090 0.77 IDO1 (0.49) RAB9AALDH1A1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101559053-A 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-10-21 CN claimed
CN-101559053-A 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-10-21 CN disclosed
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
CN-100488506-C 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-05-20 CN disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP disclosed
CN-1214025-C Sodium channel modulators derived from 2-piperidylimidazoles SOD CONSEILS RECH APPLIC (FR) 2005-08-10 CN disclosed
CN-1483029-A Sodium channel modulators derived from 2-piperidylimidazoles ��ѧ�о���Ӧ����ѯ��˾ 2004-03-17 CN disclosed
EP-1373217-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS Beiersdorf AG (DE) 2004-01-02 EP disclosed
CN-1391474-A 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN disclosed
WO-2002076951-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS BEIERSDORF AG (DE) 2002-10-03 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R RAB9A 2657/4885ALDH1A1 2656/4885ALOX5 914/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R RAB9A 2739/4885ALDH1A1 2382/4885ALOX5 859/4885

“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.