SCHEMBL4964227

SCHEMBL4964227

C=CC(N)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
ALDH1A1 P00352 7/20 0.39
TSHR P16473 5/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 3/20 0.39
ALOX12 P18054 3/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
PTGS2 P35354 2/20 0.39
IDO1 P14902 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 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
SCHEMBL7951482 0.92 ALDH1A1 (0.52) TDP1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL11884778 0.80 MAPT (0.37) TDP1ALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL6822568 0.77 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL5498504 0.75 ALDH1A3 (0.37) ALDH1A1HSD17B10
SCHEMBL8516545 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL2786299 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL4892692 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL3337536 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL2350755 0.73 TDP1 (0.56) TDP1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL27337982 0.73 TDP1 (0.56) TDP1ALDH1A1TSHRHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727269-B1 ACROMEGALY, PITUITARY ADENOMA OR ENDOCRINE GASTROENTEROPANCEATIC TUMORS INCLUDING THE CARCINOID SYNDROME, AND GASTROINTESTINAL BLEEDING SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-27 US claimed
US-7470815-B1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 US disclosed
US-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors SILVERMAN RICHARD B (US) 2005-07-21 US disclosed
US-6803486-B2 PEPTIDOMIMETIC; N-AMINOBUTYL-N'-NITROGUANIDINE DERIVATIVES NORTHWESTERN UNIVERSITY 2004-10-12 US disclosed
US-6727269-B1 ACROMEGALY, PITUITARY ADENOMA OR ENDOCRINE GASTROENTEROPANCEATIC TUMORS INCLUDING THE CARCINOID SYNDROME, AND GASTROINTESTINAL BLEEDING SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-27 US disclosed
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY 2003-06-26 US disclosed
WO-2003000198-A2 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2003-01-03 WO disclosed
US-4217272-A DYEING CELLULOSIC FIBERS STERLING DRUG INC. (US) 1980-08-12 US disclosed
US-4153598-A Monoazo and diazo colorants from aminoalkylanilines and bis(aminoalkyl)anilines STERLING DRUG INC. (US) 1979-05-08 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 (3 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-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors NOS1, NOS3, NOS2 TDP1 1350/4885ALDH1A1 1959/4885TSHR 3793/4885
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 TDP1 4518/4885ALDH1A1 812/4885TSHR 33/4885
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NOS1, NOS3, NOS2 TDP1 1350/4885ALDH1A1 1959/4885TSHR 3793/4885

“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.