SCHEMBL2981014

SCHEMBL2981014

Cc1ccc(C(=O)c2ccn(Cc3ccc(I)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SRD5A2 P31213 2/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CYP19A1 P11511 6/20 0.41
▸ TP53 P04637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL27947884 0.79 SMN1; SMN2 (0.47) ALDH1A1LMNASRD5A2CYP19A1TP53
SCHEMBL2985001 0.78 SRD5A2 (0.40) ALDH1A1LMNASRD5A2AKR1B1HDAC3
SCHEMBL28275207 0.78 NAMPT (0.46) ALDH1A1LMNAHDAC1HDAC6CYP19A1
SCHEMBL20198260 0.76 ALDH1A1 (0.76) ALDH1A1LMNASRD5A2HDAC1HDAC6
SCHEMBL10075868 0.76 ALDH1A1 (0.76) ALDH1A1LMNASRD5A2HDAC1HDAC6
SCHEMBL2980287 0.74 CNR2 (0.52) ALDH1A1LMNAHDAC3HDAC1HDAC2
SCHEMBL27860133 0.73 TPMT (0.44) ALDH1A1LMNASRD5A2CYP19A1TP53
SCHEMBL2717097 0.72 ALDH1A1 (0.48) ALDH1A1LMNASRD5A2AKR1B1HDAC3
SCHEMBL7191520 0.72 ERCC5 (0.43) ALDH1A1CYP19A1TP53MAPTCYP11B1
SCHEMBL14532323 0.71 CYP2C19 (0.53) SRD5A2AKR1B1CYP19A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 — — 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 (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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 ALDH1A1 631/4885LMNA 1680/4885SRD5A2 110/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 ALDH1A1 699/4885LMNA 1803/4885SRD5A2 133/4885

“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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