SCHEMBL1167951

SCHEMBL1167951

C[C@@H](CO)Nc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
THRB P10828 1/20 0.50
CASP1 P29466 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.42

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
SCHEMBL17604274 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL9335465 0.84 ALDH1A1 (0.47) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL5176869 0.81 ALDH1A1 (0.52) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL21256944 0.81 ALDH1A1 (0.52) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL12744307 0.81 ALDH1A1 (0.78) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL9339153 0.80 MEN1 (0.45) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL10889115 0.79 ALDH1A1 (0.50) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL5743526 0.79 KCNH3 (0.56) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL7650055 0.79 KCNH3 (0.56) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL735232 0.79 MMP8 (0.50) ALDH1A1TDP1TSHRL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US disclosed
EP-2443127-A2 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS Board of Regents, The University of Texas System (US) 2012-04-25 EP disclosed
US-20110024292-A1 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-02-03 US disclosed
WO-2010148191-A2 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-23 WO disclosed
US-20060252780-A1 Fused pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
EP-1637532-A1 FUSED PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-22 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 (2 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-20110024292-A1 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS PAICS, DCXR, PFAS ALDH1A1 1565/4885TDP1 2483/4885TSHR 4188/4885
US-20060252780-A1 Fused pyrimidine derivatives INSR, GPR119, NPY4R ALDH1A1 3942/4885TDP1 2777/4885TSHR 48/4885

“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.