SCHEMBL4362980

SCHEMBL4362980

CC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.78
NPSR1 Q6W5P4 2/20 0.65
MAPT P10636 2/20 0.65
HTT P42858 2/20 0.65
KDM4E B2RXH2 1/20 0.65
NPY1R P25929 1/20 0.65
NPY2R P49146 1/20 0.65
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
NOD2 Q9HC29 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
CNR2 P34972 3/20 0.59
KMT2A Q03164 1/20 0.59
MAPK1 P28482 1/20 0.59
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
TUBA1B P68363 1/20 0.59
TUBA4A P68366 1/20 0.59
TUBB4B P68371 1/20 0.59

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
SCHEMBL17324721 0.90 POLB (0.79) POLBNPSR1MAPTHTTKDM4E
SCHEMBL30049353 0.90 POLB (0.79) POLBNPSR1MAPTHTTKDM4E
SCHEMBL27933692 0.87 POLB (1.00) POLBNPSR1MAPTHTTRAB9A
SCHEMBL13621801 0.87 LMNA (0.68) POLBNPSR1MAPTHTTKDM4E
SCHEMBL4363056 0.87 POLB (0.67) POLBNPSR1MAPTHTTKDM4E
SCHEMBL5426578 0.86 NPSR1 (0.65) POLBNPSR1MAPTHTTKDM4E
SCHEMBL24273311 0.85 NR4A2 (0.67) POLBNPSR1MAPTHTTKDM4E
SCHEMBL6086011 0.84 TUBB4A (0.64) POLBNPSR1MAPTHTTKDM4E
SCHEMBL6527769 0.84 HTT (0.76) POLBNPSR1MAPTHTTRAB9A
SCHEMBL6192840 0.82 POLB (0.53) POLBNPSR1MAPTHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103508930-B Two (aminodithioformic acid)-1,3-propylene diester compounds and synthetic method, pharmaceutical composition and purposes PEKING UNIVERSITY (CN) 2016-01-27 CN disclosed
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
EP-1956910-B1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF UNIV TEXAS (US) 2014-09-17 EP disclosed
EP-1956910-B1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF UNIV TEXAS (US) 2014-09-17 EP disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 US disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 US disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 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-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF KRAS, NRAS, HRAS POLB 3531/4885NPSR1 2378/4885MAPT 4649/4885

“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.