SCHEMBL3631391

SCHEMBL3631391

c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.89
KMT2A Q03164 6/20 0.89
RAB9A P51151 3/20 0.89
ASIC3 Q9UHC3 1/20 0.62
ALDH1A1 P00352 7/20 0.61
MAPT P10636 3/20 0.61
HPGD P15428 3/20 0.61
POLB P06746 1/20 0.61
HSD17B10 Q99714 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A2 O94788 1/20 0.47
ALDH1A3 P47895 1/20 0.47
ADORA2A P29274 2/20 0.46
HSP90AA1 P07900 2/20 0.46

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
SCHEMBL18732402 1.00 MEN1 (0.89) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL58442 0.94 MEN1 (1.00) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL18270323 0.93 MEN1 (0.76) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL4406097 0.92 MEN1 (0.94) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL5945940 0.92 MEN1 (0.94) MEN1KMT2ARAB9AASIC3ALDH1A1
Bromide SCHEMBL10753629 0.92 MEN1 (0.94) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL16077969 0.92 MEN1 (0.94) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL23911681 0.91 MEN1 (0.72) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL23911682 0.91 MEN1 (0.72) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL17367837 0.91 MEN1 (0.73) MEN1KMT2ARAB9AASIC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690288-B2 Composition for organic optoelectronic diode, organic optoelectronic diode, and display device SAMSUNG SDI CO., LTD. (KR) 2023-06-27 US disclosed
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 US disclosed
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 US disclosed
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 US disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 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-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE MGAT2, MPST, MGAT1 MEN1 1250/4885KMT2A 53/4885RAB9A 3592/4885
US-11690288-B2 Composition for organic optoelectronic diode, organic optoelectronic diode, and display device OR10J3, OCIAD2, OR51E2 MEN1 4772/4885KMT2A 3427/4885RAB9A 4223/4885

“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.