SCHEMBL23150490

SCHEMBL23150490

[N-]=[N+]=Nc1cccc(COCc2cccc(N=[N+]=[N-])c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ PDE4A P27815 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ AGXT P21549 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ NAAA Q02083 1/20 0.34
▸ NOX1 Q9Y5S8 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL19250960 0.86 HTR1A (0.38) HTR1AHDAC1HDAC2IDO1AGXT
SCHEMBL23157787 0.86 IDO1 (0.53) CYP3A4IDO1AGXT
SCHEMBL16749885 0.82 PDE4A (0.43) HTR1APDE4ASLC6A3NOX1SIGMAR1
SCHEMBL19240348 0.82 HTR1A (0.39) HTR1AHDAC1HDAC2PDE4ACYP3A4
SCHEMBL14270237 0.79 SIGMAR1 (0.44) HTR1AIDO1NOX1SIGMAR1NOS1
SCHEMBL23270659 0.79 HTR1A (0.40) TSHRHTR1APDE4ASLC6A3NOX1
SCHEMBL15617807 0.79 HTR1A (0.43) HTR1APDE4ASLC6A3NOX1SIGMAR1
SCHEMBL20552581 0.79 NOS1 (0.53) NOS1NOS2
SCHEMBL17208761 0.79 HTR1A (0.40) TSHRHTR1APDE4ASLC6A3NOX1
SCHEMBL15617804 0.79 NOS1 (0.49) TSHRHTR1APDE4ASLC6A3SIGMAR1

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-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. 2021-04-01 — — US disclosed
CN-110770243-A Rapamycin analogs as MTOR inhibitors 锐新医药公司 2020-02-07 — — CN 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-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS MTOR, RICTOR, RPTOR TSHR 3837/4885HTR1A 3445/4885HDAC1 516/4885

“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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