SCHEMBL5163979

SCHEMBL5163979

Cc1cc(NC(=O)C(Nc2cccc(C#N)c2)c2ccccc2F)ccc1N1CCCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.42
TP53 P04637 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CCR3 P51677 2/20 0.38
HIF1A Q16665 1/20 0.36
GRIN2B Q13224 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
HDAC1 Q13547 1/20 0.36
GRM5 P41594 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL27601422 0.99 F10 (0.42) F10TP53CTSLCTSBCTSK
SCHEMBL5164612 0.86 F10 (0.44) F10GAA
SCHEMBL5164191 0.85 F10 (0.51) F10TP53GAATSHRALDH1A1
SCHEMBL5165571 0.85 F10 (0.43) F10GAA
SCHEMBL5165637 0.85 F10 (0.61) F10TP53GAATSHRALDH1A1
SCHEMBL5164794 0.84 F10 (0.60) F10TP53GAATSHRALDH1A1
SCHEMBL5165540 0.83 F10 (0.41) F10TP53GAA
Hydrochloric Acid SCHEMBL27601432 0.82 F10 (0.41) F10TP53GAA
SCHEMBL6156353 0.80 TP53 (0.40) TP53HIF1AKCNJ6KCNJ5KCNJ3
SCHEMBL6158832 0.79 MEN1 (0.45) TP53CTSLCTSBCTSKCCR3

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-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
CN-1518541-A Phenyl derivatives Ĭ��ר���ɷ����޹�˾ 2004-08-04 CN disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 F10 6/4885TP53 4035/4885CTSL 1644/4885

“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.