SCHEMBL9936837

SCHEMBL9936837

COC(=O)c1c[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.65
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
HPGD P15428 1/20 0.60
ALOX12 P18054 1/20 0.60
KMT2A Q03164 1/20 0.60
CREBBP Q92793 1/20 0.57
CFTR P13569 1/20 0.55
HSD17B10 Q99714 1/20 0.47
KIF11 P52732 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.44
MAP2K1 Q02750 1/20 0.43

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
SCHEMBL1466529 0.89 NR4A2 (0.65) NR4A2MEN1ALDH1A1CYP1A2HPGD
SCHEMBL6029993 0.86 MEN1 (0.58) NR4A2MEN1ALDH1A1CYP1A2HPGD
Hydrochloric Acid SCHEMBL14487414 0.85 MEN1 (0.56) NR4A2MEN1ALDH1A1CYP1A2HPGD
SCHEMBL29644277 0.83 ALDH1A1 (0.83) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL10253551 0.83 ALDH1A1 (0.83) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL29644278 0.81 MEN1 (0.65) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL3629228 0.81 ALDH1A1 (0.65) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL2133676 0.81 MEN1 (0.65) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL4235843 0.81 NR4A2 (0.70) NR4A2CREBBPNPC1MAPTMAP2K1
SCHEMBL3174159 0.80 ALDH1A1 (0.60) NR4A2MEN1ALDH1A1CYP1A2HPGD

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 6 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
CN-103347874-B dimeric IAP inhibitors NOVARTIS AG (CH) 2014-10-29 CN 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
CN-103347874-A Dimeric iap inhibitors NOVARTIS AG 2013-10-09 CN 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 NR4A2 3995/4885MEN1 931/4885ALDH1A1 4204/4885

“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.