SCHEMBL11990822

SCHEMBL11990822

CCc1nc2c(c(OC(C)C)c(C(=O)NC3CCCC(O)C3)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR6 O00574 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ PTGES O14684 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL10004597 0.92 F10 (0.42) KMT2AF10TSHRHPGDUSP2
SCHEMBL10293228 0.87 KMT2A (0.40) KMT2AF10TSHRHPGDUSP2
SCHEMBL10003864 0.85 SMO (0.44) KMT2AF10TSHRHPGDUSP2
SCHEMBL10292520 0.84 KMT2A (0.40) KMT2AF10TSHRHPGDUSP2
SCHEMBL10292459 0.83 CACNA1G (0.45) KMT2ATSHRPTGESPOLBALDH1A1
SCHEMBL10292521 0.83 KMT2A (0.42) KMT2ATSHRHPGDPTGESPOLB
SCHEMBL10003686 0.82 PTGES (0.48) KMT2ATSHRHPGDPTGESPOLB
SCHEMBL10292518 0.82 KMT2A (0.44) KMT2AHPGDALDH1A1MAPTHSD17B10
SCHEMBL10004586 0.82 KMT2A (0.48) KMT2ATSHRHPGDPTGESPOLB
SCHEMBL11990823 0.82 KMT2A (0.42) KMT2ATSHRHPGDPTGESPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — 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 (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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH CXCR6 2400/4885KMT2A 423/4885F10 3388/4885

“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.

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