SCHEMBL3786773

SCHEMBL3786773

CNc1ccccc1-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
HTR3A P46098 1/20 0.44
ACHE P22303 3/20 0.42
ADRA2C P18825 1/20 0.42
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
MAOA P21397 1/20 0.41
MAPT P10636 5/20 0.40
HSD17B10 Q99714 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL1039296 0.82 ALDH1A1 (0.50) ACHEALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL23496291 0.80 ALDH1A1 (0.48) ACHEALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL29413720 0.80 ALDH1A1 (0.48) ACHEALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL3786638 0.79 ADRA2C (0.58) ADRA2CALDH1A1ALOX15TSHRMAPT
SCHEMBL1038045 0.77 LMNA (0.50) HTR1DHTR2CHTR2BHTR3AALDH1A1
SCHEMBL4032281 0.77 NOTUM (0.63) NOTUMALDH1A1TSHRMAPTHSD17B10
SCHEMBL8927888 0.77 MAPT (0.52) HTR1DHTR2CHTR2BHTR3AACHE
SCHEMBL30708901 0.77 NOTUM (0.63) NOTUMALDH1A1TSHRMAPTHSD17B10
SCHEMBL12097403 0.76 KDM4C (0.49) NOTUMADRA2CALDH1A1ALOX15TSHR
SCHEMBL23674317 0.76 ALDH1A1 (0.46) NOTUMADRA2CALDH1A1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2023-06-22 US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 NOTUM 36/4885HTR1D 4219/4885HTR2C 1200/4885
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 NOTUM 1441/4885HTR1D 1310/4885HTR2C 1736/4885

“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.