SCHEMBL5417333

SCHEMBL5417333

NC1=NC=CNc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 11/20 0.44
▸ ADORA3 P0DMS8 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27368384 0.76 IDO1 (0.32) IDO1PLAU
SCHEMBL30030411 0.76 IDO1 (0.32) IDO1PLAU
SCHEMBL27459327 0.72 — —
SCHEMBL28023171 0.72 MAPT (0.32) ALDH1A1PLAUKDM4EGAA
SCHEMBL16486471 0.71 MAPT (0.34) LMNAALDH1A1PLAUTSHRKDM4E
SCHEMBL8595371 0.70 — —
SCHEMBL8595375 0.70 — —
SCHEMBL7247395 0.68 KDM4E (0.41) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1096641 0.68 MAOA (0.36) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28072453 0.67 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines ASTON UNIVERSITY (GB) 2007-08-09 — — US disclosed
US-20070172422-A1 Exponential pattern recognition based cellular targeting compositions, methods and anticancer applications GLAZIER ARNOLD 2007-07-26 — — US disclosed
EP-1409017-A4 EXPONENTIAL PATTERN RECOGNITION BASED CELLULAR TARGETING, COMPOSITIONS, METHODS AND ANTICANCER APPLICATIONS DRUG INNOVATION & DESIGN INC (US) 2006-05-24 — — EP disclosed
EP-1636197-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES Aston University (GB) 2006-03-22 — — EP disclosed
WO-2004106310-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES ASTON UNIVERSITY (GB) 2004-12-09 — — WO disclosed
EP-1409017-A2 EXPONENTIAL PATTERN RECOGNITION BASED CELLULAR TARGETING, COMPOSITIONS, METHODS AND ANTICANCER APPLICATIONS Drug Innovation & Design, Inc. (US) 2004-04-21 — — EP disclosed
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 — — US disclosed
US-20030031677-A1 Exponential pattern recognition based cellular targeting, compositions, methods and anticancer applications DRUG INNOVATION & DESIGN, INCORPORATED 2003-02-13 — — US disclosed
WO-2003000201-A2 EXPONENTIAL PATTERN RECOGNITION BASED CELLULAR TARGETING, COMPOSITIONS, METHODS AND ANTICANCER APPLICATIONS DRUG INNOVATION & DESIGN, INCORPORATED (US) 2003-01-03 — — WO disclosed
EP-1255567-A1 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES Drug Innovation & Design, Inc. (US) 2002-11-13 — — EP disclosed
WO-2001036003-A2 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES DRUG INNOVATION & DESIGN, INC. (US) 2001-05-25 — — WO disclosed
US-4296239-A Amino-4H-s-triazolo[4,3-a][1,4]benzodiazepines THE UPJOHN COMPANY (US) 1981-10-20 — — US disclosed
US-4180668-A Piperidino-4H-s-triazolo[4,3-a][1,4]benzodiazepines THE UPJOHN COMPANY (US) 1979-12-25 — — 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 (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-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs PAICS, ABCB1, ABCG2 NOS2 2457/4885ADORA3 943/4885LMNA 4027/4885
US-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines CCKBR, CCKAR, GABRB1 NOS2 4155/4885ADORA3 160/4885LMNA 4248/4885
US-20030031677-A1 Exponential pattern recognition based cellular targeting, compositions, methods and anticancer applications EPHA2, EEA1, TPX2 NOS2 4859/4885ADORA3 2344/4885LMNA 4102/4885
US-20070172422-A1 Exponential pattern recognition based cellular targeting compositions, methods and anticancer applications EPHA2, EEA1, HAVCR2 NOS2 4853/4885ADORA3 2241/4885LMNA 4082/4885

“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.

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