SCHEMBL31236717

SCHEMBL31236717

[2H]C([2H])([2H])c1ccc(C#N)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
NQO1 P15559 1/20 0.35
SOS2 Q07890 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
KHK P50053 1/20 0.30

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
SCHEMBL2291603 0.86 ALDH1A1 (0.44) ALDH1A1NQO1SOS2CYP1A2CYP2C9
SCHEMBL7846050 0.73 SOS2 (0.38) ALDH1A1NQO1SOS2KDM4EEGLN2
SCHEMBL11916709 0.69 SOS2 (0.36) ALDH1A1NQO1SOS2L3MBTL1KDM4E
SCHEMBL25268051 0.69 KHK (0.36) ALDH1A1NQO1SOS2NPSR1KDM4E
SCHEMBL16372364 0.69 SOS2 (0.48) ALDH1A1NQO1SOS2CYP1A2CYP2C9
SCHEMBL31236710 0.69 ERBB2 (0.41) ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL22135837 0.69 CAMKK2 (0.35) ALDH1A1NQO1SOS2KDM4EEGLN2
SCHEMBL12377890 0.69 ALDH1A1 (0.35) ALDH1A1NQO1SOS2L3MBTL1KDM4E
SCHEMBL701812 0.69 NOS3 (0.44) ALDH1A1NQO1SOS2KDM4EEGLN2
Hydrochloric Acid SCHEMBL16741017 0.68 SOS2 (0.47) NQO1SOS2CYP1A2CYP2C9CYP2C19

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-20250092033-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Beijing Avistone Biotechnology Co., Ltd. (CN) 2025-03-20 US disclosed
EP-4458818-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Beijing Avistone Biotechnology Co., Ltd. (CN) 2024-11-06 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 (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-20250092033-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF CYP19A1, WEE1, WEE2 ALDH1A1 876/4885NQO1 17/4885SOS2 1481/4885

“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.