SCHEMBL3619989

SCHEMBL3619989

O=C(Cl)c1cc2cc(Br)ccc2o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.72
RAB9A P51151 7/20 0.59
NPC1 O15118 5/20 0.59
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.57
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GPR35 Q9HC97 1/20 0.53
MAOA P21397 1/20 0.51
POLB P06746 3/20 0.50
KMT2A Q03164 1/20 0.50
CYP2A6 P11509 1/20 0.50
BCAT1 P54687 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL2198563 0.84 PIM1 (1.00) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL29523120 0.84 PIM1 (1.00) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL2705460 0.84 PIM1 (0.74) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL1297716 0.82 PIM1 (0.72) PIM1RAB9ANPC1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL10423094 0.82 PIM1 (0.96) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL18356154 0.81 PIM1 (0.66) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL6240008 0.81 PIM1 (0.70) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL9989803 0.80 FLT3 (0.73) PIM1ALDH1A1LMNASMN1; SMN2MAOA
SCHEMBL3613922 0.80 MAOB (0.63) RAB9ANPC1ALDH1A1SMN1; SMN2GPR35
SCHEMBL3721823 0.79 PIM1 (0.68) PIM1RAB9ANPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195603-A1 ANTI-MALARIAL COMPOUNDS AND USES THEREOF VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY (US) 2021-09-30 WO disclosed
WO-2021195603-A1 ANTI-MALARIAL COMPOUNDS AND USES THEREOF VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY (US) 2021-09-30 WO disclosed
WO-2020198435-A1 SMALL MOLECULE DEGRADERS OF STAT3 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-01 WO disclosed
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US disclosed
EP-1194426-B1 BENZOFURANE DERIVATIVES MERCK PATENT GMBH (DE) 2004-08-18 EP disclosed
US-6531503-B1 Central nervous system MERCK PATENT GMBH (DE) 2003-03-11 US disclosed
EP-1194426-A2 BENZOFURANE DERIVATIVES MERCK PATENT GmbH (DE) 2002-04-10 EP disclosed
WO-2001004112-A2 BENZOFURANE DERIVATIVES MERCK PATENT GMBH (DE) 2001-01-18 WO disclosed
EP-0147044-B1 BENZOFURANCARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM ADRIA LABORATORIES INC. (US) 1990-04-25 EP disclosed
EP-0147044-A2 Benzofurancarboxamides, process for their preparation and pharmaceutical preparations containing them ADRIA LABORATORIES INC. (US) 1985-07-03 EP 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 (3 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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC PIM1 3322/4885RAB9A 3864/4885NPC1 2605/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC PIM1 3322/4885RAB9A 3864/4885NPC1 2605/4885
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 PIM1 1252/4885RAB9A 1026/4885NPC1 1687/4885

“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.