SCHEMBL19250960

SCHEMBL19250960

COCc1cccc(N=[N+]=[N-])c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ AGXT P21549 2/20 0.35
▸ NOX1 Q9Y5S8 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ NOS2 P35228 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ FFAR1 O14842 1/20 0.34

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
SCHEMBL23150490 0.86 TSHR (0.40) HTR1ASLC6A3HDAC1HDAC2NOS1
SCHEMBL23157787 0.83 IDO1 (0.53) IDO1AGXT
SCHEMBL19240348 0.82 HTR1A (0.39) HTR1ASLC6A3HDAC1HDAC2NOS1
SCHEMBL14270237 0.80 SIGMAR1 (0.44) HTR1ANOS1IDO1NOX1SIGMAR1
SCHEMBL16749885 0.80 PDE4A (0.43) HTR1ASLC6A3NOS1NOX1SIGMAR1
SCHEMBL15569061 0.79 SLC6A3 (0.36) HTR1ASLC6A3HDAC1HDAC2NOS1
SCHEMBL22683759 0.78 CYP51A1 (0.42) SLC6A3NOX1
SCHEMBL23270659 0.77 HTR1A (0.40) HTR1ASLC6A3NOS1NOX1SIGMAR1
SCHEMBL20552581 0.77 NOS1 (0.53) NOS1NOS2
SCHEMBL17208761 0.77 HTR1A (0.40) HTR1ASLC6A3NOS1NOX1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 — — 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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HTR1A 925/4885SLC6A3 3419/4885HDAC1 1538/4885

“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.

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