SCHEMBL5750855

SCHEMBL5750855

COC(=O)c1ccc(C#N)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.53
IMPDH1 P20839 1/20 0.53
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 2/20 0.47
BRD4 O60885 2/20 0.46
AR P10275 1/20 0.45
NR4A2 P43354 2/20 0.45
CREBBP Q92793 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
POLB P06746 2/20 0.43
CFTR P13569 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL2647337 0.90 ALDH1A1 (0.47) IMPDH2IMPDH1KDM4EALDH1A1HSD17B10
SCHEMBL11822663 0.85 BRD4 (0.47) KDM4EALDH1A1HSD17B10BRD4NR4A2
SCHEMBL70381 0.84 BRD4 (0.59) KDM4EALDH1A1HSD17B10BRD4NR4A2
SCHEMBL29434198 0.84 BRD4 (0.59) KDM4EALDH1A1HSD17B10BRD4NR4A2
SCHEMBL13209656 0.81 IMPDH2 (0.49) IMPDH2IMPDH1KDM4EALDH1A1BRD4
SCHEMBL7676590 0.80 SMN1; SMN2 (0.48) KDM4EALDH1A1HSD17B10BRD4NR4A2
SCHEMBL22890170 0.79 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL5754801 0.79 SLC22A12 (0.49) IMPDH2IMPDH1KDM4EALDH1A1HSD17B10
SCHEMBL181067 0.79 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL7672835 0.78 SMN1; SMN2 (0.47) KDM4EALDH1A1HSD17B10BRD4NR4A2

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed
US-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP IMPDH2 2463/4885IMPDH1 1972/4885KDM4E 244/4885

“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.