SCHEMBL783512

SCHEMBL783512

N#CCN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.41
CYP19A1 P11511 1/20 0.38
KMT2A Q03164 3/20 0.37
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL11653378 0.82 MAPT (0.43) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL28862271 0.81 HPGD (0.34) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL10824393 0.79 CYP1A2 (0.53) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL20786543 0.79 POLB (0.38) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL10824397 0.79 CYP1A2 (0.53) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL14006400 0.79 CYP1A2 (0.53) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL17028404 0.79 KMT2A (0.53) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL11461816 0.75 TSHR (0.38) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL17385699 0.74 ATM (0.44) ALDH1A1HPGDSMN1; SMN2POLBKMT2A
SCHEMBL16473435 0.70 GRIN1 (0.39) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6

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 492 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105796-A Synthetic method of stable isotope deuterium-labeled isoleucine 上海化工研究院有限公司 2022-03-01 CN claimed
US-20090023919-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS SCHERING CORPORATION 2009-01-22 US claimed
US-20060229456-A1 Synthesis of Temozolomide and analogs SCHERING CORPORATION 2006-10-12 US claimed
US-7087751-B2 Diazotizing 5-amino-1H-imidazole-4-carboxamide derivative having divalent protecting group on amide that is readily removable by hydrolysis or hydrogenolysis SCHERING CORPORATION (US) 2006-08-08 US claimed
US-20050131227-A1 Synthesis of temozolomide and analogs SCHERING CORPORATION 2005-06-16 US claimed
EP-1353924-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS Schering Corporation (US) 2003-10-22 EP claimed
WO-2002057269-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS SCHERING CORPORATION (US) 2002-07-25 WO claimed
US-20020095036-A1 Synthesis of temozolomide and analogs SCHERING CORPORATION 2002-07-18 US claimed
US-6336963-B1 INK COMPOSITION COMPRISING INK VEHICLE COMPRISING FIRST NITRILE COMPOUND HAVING FIRST VISCOSITY AT MELT TEMPERATURE, VISCOSITY MODIFIER COMPRISING SECOND NITRILE COMPOUND HAVING LOWER VISCOSITY AT MELT TEMPERATURE, COLORANT XEROX CORPORATION 2002-01-08 US claimed
JP-58150552-A None JP disclosed
JP-58150553-A None JP disclosed
JP-57130972-A None JP disclosed
JP-58000955-A None JP disclosed
JP-58000954-A None JP disclosed
JP-S58954-A PREPARATION OF PROPYLAMINE DERIVATIVE TORAY IND INC 1983-01-06 JP disclosed
JP-S58953-A PREPARATION OF BUTYRIC ACID DERIVATIVE TORAY IND INC 1983-01-06 JP disclosed
JP-S57130972-A PREPARATION OF INDOLE DERIVATIVE TORAY IND INC 1982-08-13 JP disclosed
JP-S57123163-A 2-DIPHENYLMETHYLENEAMINO-3-INDOLEPROPIONITRILE TORAY IND INC 1982-07-31 JP disclosed
EP-0047516-A1 Propylamine derivative and process of manufacturing the same TORAY INDUSTRIES, INC. (JP) 1982-03-17 EP disclosed
EP-0037271-A1 Indole derivatives and process for preparing the same TORAY INDUSTRIES, INC. (JP) 1981-10-07 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 (4 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-20090023919-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS MGMT, TYMS, MCL1 ALDH1A1 1791/4885HPGD 1353/4885SMN1; SMN2 2787/4885
US-20050131227-A1 Synthesis of temozolomide and analogs MGMT, TYMS, MCL1 ALDH1A1 1791/4885HPGD 1353/4885SMN1; SMN2 2787/4885
US-20060229456-A1 Synthesis of Temozolomide and analogs MGMT, TYMS, MCL1 ALDH1A1 1791/4885HPGD 1353/4885SMN1; SMN2 2787/4885
US-20020095036-A1 Synthesis of temozolomide and analogs MGMT, TYMS, MCL1 ALDH1A1 1791/4885HPGD 1353/4885SMN1; SMN2 2787/4885

“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.