SCHEMBL2245541

SCHEMBL2245541

ClCc1nc(-c2c(Cl)cccc2Cl)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
NOTUM Q6P988 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL28869659 0.89 AKR1B1 (0.48) SMN1; SMN2RAB9ANPC1MAPTTSHR
SCHEMBL15677598 0.84 ACACB (0.44) SMN1; SMN2RAB9ANPC1MAPTTSHR
SCHEMBL10906062 0.82 ATM (0.59) SMN1; SMN2RAB9ANPC1MAPTATM
SCHEMBL30566762 0.82 ATM (0.59) SMN1; SMN2RAB9ANPC1MAPTATM
SCHEMBL10268372 0.81 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1MAPTTSHR
SCHEMBL28278760 0.80 NPC1 (0.49) SMN1; SMN2RAB9ANPC1MAPTNFKB1
SCHEMBL10202910 0.80 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPTTSHR
SCHEMBL103161 0.78 ATM (0.43) SMN1; SMN2RAB9ANPC1MAPTTSHR
SCHEMBL11555365 0.78 AKR1B1 (0.51) SMN1; SMN2MAPTTSHRATMNOTUM
SCHEMBL1544535 0.76 RAB9A (0.55) SMN1; SMN2RAB9ANPC1MAPTTSHR

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
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed
US-4994478-A Acaricides NIPPON SODA CO., LTD. (JP) 1991-02-19 US disclosed
EP-0273534-A2 Oxa(thia)diazole derivatives NIPPON SODA CO., LTD. (JP) 1988-07-06 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 (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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 SMN1; SMN2 4738/4885RAB9A 3734/4885NPC1 435/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 SMN1; SMN2 4738/4885RAB9A 3734/4885NPC1 435/4885

“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.