SCHEMBL25936856

SCHEMBL25936856

C[C@H](Nc1cncc(-c2cnc([N+](=O)[O-])s2)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ HTR7 P34969 4/20 0.45
▸ ADRA1D P25100 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ LDHA P00338 2/20 0.39
▸ LDHB P07195 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL24137472 0.81 HTR7 (0.48) GAAHTR7ADRA1DHTR2CADRA1A
SCHEMBL24137474 0.73 CCNE1 (0.43) ALDH1A1HTR7ADRA1DHTR2CADRA1A
SCHEMBL25938501 0.71 HTR7 (0.42) ALDH1A1HTR7ADRA1DHTR2CADRA1A
SCHEMBL25937910 0.69 HTR7 (0.51) GAAHTR7ADRA1DHTR2CADRA1A
SCHEMBL24137504 0.69 HTR7 (0.48) GAAHTR7ADRA1DHTR2CADRA1A
SCHEMBL24137799 0.69 HTR7 (0.48) ALDH1A1GAAHTR7ADRA1DHTR2C
SCHEMBL24137805 0.69 HTR7 (0.60) GAAHTR7ADRA1DHTR2CADRA1A
SCHEMBL30596236 0.69 HTR7 (0.48) GAAHTR7ADRA1DHTR2CADRA1A
SCHEMBL22191409 0.69 CCNC (0.46) HTTHTR7ADRA1DHTR2CADRA1A
SCHEMBL22191728 0.69 CCNC (0.46) HTTHTR7ADRA1DHTR2CADRA1A

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 ALDH1A1 4635/4885GAA 631/4885HTT 2561/4885

“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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