SCHEMBL2267607

SCHEMBL2267607

Cc1nc(C(=O)Cl)sc1C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL11229318 0.80 NOS1 (0.39) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL3344131 0.80 CNR1 (0.47) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL3500221 0.78 ALDH1A1 (0.70) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL1900249 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL27564565 0.77 ALDH1A1 (0.67) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL9643726 0.74 ALDH1A1 (0.40) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL9642764 0.74 ALDH1A1 (0.41) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL3067153 0.74 ALDH1A1 (0.40) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL9644328 0.72 ALDH1A1 (0.39) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL13165457 0.71 RXFP1 (0.49) ALDH1A1HPGDTSHRRAB9AMAPT

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
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 US disclosed
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2012080260-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 US 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-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 ALDH1A1 4312/4885HPGD 3939/4885TSHR 4621/4885
US-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 ALDH1A1 4127/4885HPGD 3776/4885TSHR 4630/4885

“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.