SCHEMBL10003934

SCHEMBL10003934

Cc1nc2c(c(OCC(F)(F)F)c(C(=O)NC3CCN(C(=O)CO)CC3)n2C)c(=O)n1Cc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10004591 0.92 SMO (0.60) SMOMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL10003448 0.91 SMO (0.55) SMOALDH1A1
SCHEMBL10004056 0.90 SMO (0.55) SMODRD4ALDH1A1
SCHEMBL10004495 0.89 SMO (0.55) SMO
SCHEMBL10004193 0.89 SMO (0.55) SMOMAPTHPGDDRD4DCUN1D1
SCHEMBL10004338 0.88 SMO (0.54) SMOPOLBDRD4ALDH1A1
SCHEMBL10004628 0.86 SMO (0.59) SMOMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL10004198 0.86 SMO (0.56) SMOALDH1A1SMN1; SMN2
SCHEMBL10292460 0.86 SMO (0.47) SMOPOLBMAPTHPGDDRD4
SCHEMBL10004843 0.86 SMO (0.72) SMOMAPTHPGDALDH1A1

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
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US 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
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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 SMO 1/4885TDP1 3899/4885POLB 4723/4885

“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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