SCHEMBL3688403

SCHEMBL3688403

ON=Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ CAPN1 P07384 1/20 0.55
▸ CAPN2 P17655 1/20 0.55
▸ CCNT1 O60563 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ HASPIN Q8TF76 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GPR84 Q9NQS5 1/20 0.49
▸ PTGS2 P35354 1/20 0.48
▸ RXFP3 Q9NSD7 1/20 0.47
▸ MPO P05164 3/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HTR2C P28335 1/20 0.44

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
SCHEMBL3688400 1.00 HPGD (0.60) HPGDHTTCAPN1CAPN2CCNT1
SCHEMBL16881531 0.80 HPGD (0.60) HPGDHTTCCNT1CDK9HASPIN
SCHEMBL16881530 0.80 HPGD (0.60) HPGDHTTCCNT1CDK9HASPIN
SCHEMBL13957453 0.79 CAPN1 (0.56) CAPN1CAPN2MEN1NPC1USP2
SCHEMBL208051 0.77 CAPN1 (0.59) CAPN1CAPN2CCNT1CDK9HASPIN
SCHEMBL3741787 0.77 KMT2A (0.56) CAPN1CAPN2MEN1NPC1USP2
SCHEMBL29935857 0.77 CAPN1 (0.59) CAPN1CAPN2CCNT1CDK9HASPIN
SCHEMBL31355128 0.75 HTT (1.00) HPGDHTTMEN1NPC1RAB9A
SCHEMBL5167169 0.75 HTT (1.00) HPGDHTTMEN1NPC1RAB9A
SCHEMBL2189137 0.75 HTT (1.00) HPGDHTTMEN1NPC1RAB9A

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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 — — US disclosed
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 — — US disclosed
EP-2183217-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-05-12 — — EP disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 — — 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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 HPGD 1470/4885HTT 1493/4885CAPN1 2777/4885

“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.

Send feedback