SCHEMBL4016909

SCHEMBL4016909

O=C=NC1Cc2ccc(Cl)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.39
PNMT P11086 4/20 0.38
SLC6A4 P31645 1/20 0.38
AHR P35869 2/20 0.36
CMA1 P23946 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
AADAT Q8N5Z0 2/20 0.33
NOTUM Q6P988 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4013412 0.79 PSEN1 (0.38) SLC6A4PSEN1PSEN2APH1BNCSTN
SCHEMBL1193046 0.77 ANPEP (0.39) ALDH1A1
SCHEMBL4016131 0.69 PSEN1 (0.35) PNMTAHRPSEN1PSEN2APH1B
SCHEMBL24387477 0.69 PNMT (0.44) METAP1PNMTSLC6A4PSEN1PSEN2
SCHEMBL293771 0.69 CA1 (0.50) PNMTSLC6A4HTR2CHTR2AHTR2B
SCHEMBL24242574 0.69 SLC6A4 (0.47) PNMTSLC6A4HTR2CHTR2AHTR2B
SCHEMBL14346890 0.69 SLC6A4 (0.47) PNMTSLC6A4HTR2CHTR2AHTR2B
SCHEMBL24051597 0.69 CA1 (0.50) PNMTSLC6A4HTR2CHTR2AHTR2B
SCHEMBL24051774 0.69 CA1 (0.50) PNMTSLC6A4HTR2CHTR2AHTR2B
SCHEMBL1016046 0.68 PNMT (0.41) METAP1PNMTSLC6A4AHRCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C METAP1 916/4885PNMT 68/4885SLC6A4 852/4885

“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.