SCHEMBL1971997

SCHEMBL1971997

CCc1cc2c(=O)[nH]c(Cl)nc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 5/20 0.62
ADORA1 P30542 4/20 0.62
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.59
RAB9A P51151 2/20 0.59
HPGD P15428 1/20 0.59
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
AGTR1 P30556 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
SELE P16581 1/20 0.46
VCAM1 P19320 1/20 0.46
BRD4 O60885 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
F2 P00734 1/20 0.42

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
SCHEMBL11480471 0.79 ALDH1A1 (0.71) TMIGD3ADORA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL29990964 0.79 KDM4E (0.43) TMIGD3ADORA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL13343603 0.78 TMIGD3 (0.61) TMIGD3ADORA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8189842 0.77 TMIGD3 (0.60) TMIGD3ADORA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL29003800 0.76 ALDH1A1 (0.38) TMIGD3ADORA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1970640 0.75 ALDH1A1 (0.61) TMIGD3ADORA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1969459 0.74 ALDH1A1 (0.56) TMIGD3ADORA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1973000 0.74 ALDH1A1 (0.56) TMIGD3ADORA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7058912 0.74 SMN1; SMN2 (0.74) TMIGD3ADORA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8200644 0.74 ALDH1A1 (0.57) TMIGD3ADORA1ALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102149718-A Fused heterocyclic compound LG LIFE SCIENCES LTD (KR) 2011-08-10 CN disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 TMIGD3 2869/4885ADORA1 715/4885ALDH1A1 279/4885

“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.