SCHEMBL1782719

SCHEMBL1782719

Cc1c(C=O)c(-c2ccccc2)c(C(=O)c2ccccc2)n1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
ALDH1A1 P00352 7/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
PTK2B Q14289 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.35
GRM6 O15303 1/20 0.35

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
SCHEMBL1784038 0.84 HTT (0.59) HTTALDH1A1GAACYP1A2NPSR1
SCHEMBL1784658 0.67 HTT (0.50) HTTALDH1A1GAACYP1A2NPSR1
SCHEMBL1786229 0.66 CYP1A2 (0.40) ALDH1A1GAACYP1A2MAPTTSHR
SCHEMBL21694087 0.64 MAPT (0.58) HTTALDH1A1GAANPSR1MEN1
SCHEMBL12679971 0.64 LMNA (0.50) HTTALDH1A1NPSR1MEN1KMT2A
SCHEMBL31190264 0.63 ALDH1A1 (0.54) HTTALDH1A1GAAMEN1KMT2A
SCHEMBL28356091 0.63 MAPT (0.53) HTTALDH1A1GAANPSR1MEN1
SCHEMBL5141928 0.63 ALDH1A1 (0.59) HTTALDH1A1GAANPSR1MEN1
SCHEMBL27448850 0.63 ALDH1A1 (0.59) HTTALDH1A1GAANPSR1MEN1
SCHEMBL1666498 0.63 ALDH1A1 (0.59) HTTALDH1A1GAANPSR1MEN1

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-8273901-B2 Process of forming a pyrrole compound Nanyang Technical University (SG) 2012-09-25 US disclosed
US-8273901-B2 Process of forming a pyrrole compound Nanyang Technical University (SG) 2012-09-25 US disclosed
US-8273901-B2 Process of forming a pyrrole compound Nanyang Technical University (SG) 2012-09-25 US disclosed
US-20110124881-A1 PROCESS OF FORMING A PYRROLE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-05-26 US disclosed
US-20110124881-A1 PROCESS OF FORMING A PYRROLE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-05-26 US disclosed
US-20110124881-A1 PROCESS OF FORMING A PYRROLE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-05-26 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-20110124881-A1 PROCESS OF FORMING A PYRROLE COMPOUND OXER1, OGDH, OPRD1 HTT 3191/4885ALDH1A1 67/4885GAA 2101/4885

“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.