SCHEMBL9948583

SCHEMBL9948583

CCCCC(NC(C)=O)=C(Cc1ccc(-c2ccccc2C#N)cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
HIF1A Q16665 1/20 0.38
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
MME P08473 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
ABL1 P00519 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL9948577 1.00 TSHR (0.39) TSHRCYP1A2CYP3A4ALDH1A1ALOX15
SCHEMBL9948581 1.00 TSHR (0.39) TSHRCYP1A2CYP3A4ALDH1A1ALOX15
SCHEMBL15869593 0.91 AVPR2 (0.38) TSHRCYP1A2CYP3A4ALDH1A1ALOX15
SCHEMBL9947939 0.83 TSHR (0.38) TSHRFFAR1AKR1B1MMEFAAH
SCHEMBL9947933 0.83 TSHR (0.38) TSHRFFAR1AKR1B1MMEFAAH
SCHEMBL9947942 0.83 TSHR (0.38) TSHRFFAR1AKR1B1MMEFAAH
SCHEMBL16458059 0.83 TSHR (0.39) TSHRCYP1A2CYP3A4ALDH1A1ALOX15
SCHEMBL15869594 0.82 AVPR2 (0.39) TSHRCYP1A2CYP3A4ALDH1A1ALOX15
SCHEMBL16502117 0.78 FFAR1 (0.41) TSHRCYP1A2CYP3A4ALDH1A1ALOX15
SCHEMBL11896997 0.76 TSHR (0.41) TSHRAVPR2OXTRAVPR1AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484675-B1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME KOWA CO (JP) 2014-11-05 EP disclosed
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-06-28 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-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AGTR2, AGTR1, PPARD TSHR 461/4885CYP1A2 1784/4885CYP3A4 3038/4885

“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.