SCHEMBL9936557

SCHEMBL9936557

O=C(O)Cc1cc(Cl)cc2[nH]ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
AURKA O14965 1/20 0.44
TPX2 Q9ULW0 1/20 0.44
RHEB Q15382 4/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GOT1 P17174 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
GPR17 Q13304 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL34468356 0.84 GPR17 (0.54) ALDH1A1AURKATPX2RHEBHPGD
SCHEMBL27973185 0.81 ALDH1A1 (0.42) ALDH1A1RHEBTSHRLMNAGLA
SCHEMBL27973166 0.81 MPL (0.44) ALDH1A1TSHRLMNAGLACYP2C9
SCHEMBL9937126 0.81 TSHR (0.51) ALDH1A1AURKATPX2TSHRLMNA
SCHEMBL30275153 0.81 TSHR (0.51) ALDH1A1AURKATPX2TSHRLMNA
SCHEMBL22783757 0.80 ALDH1A1 (0.50) ALDH1A1AURKATPX2RHEBGOT1
Hydrochloric Acid SCHEMBL2913110 0.79 HPGD (0.41) ALDH1A1AURKATPX2TSHRLMNA
SCHEMBL840736 0.77 GPR84 (0.65) ALDH1A1TSHRLMNAGLACYP2C9
SCHEMBL29623480 0.77 GPR84 (0.65) ALDH1A1TSHRLMNAGLACYP2C9
SCHEMBL27972984 0.77 KDM4E (0.44) ALDH1A1AURKATPX2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 ALDH1A1 4204/4885AURKA 1520/4885TPX2 241/4885

“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.