SCHEMBL26751865

SCHEMBL26751865

CCc1ccc(N=[N+]=[N-])c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ABCC9 O60706 1/20 0.32
▸ KCNJ11 Q14654 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.30
▸ LRRK2 Q5S007 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
SCHEMBL17027574 0.75 CYP2A6 (0.40) CYP2A6ALDH1A1TSHRKDM4ECASP1
SCHEMBL26210002 0.75 PDE2A (0.41) CYP2A6PDE2ASIGMAR1CYP1A2TRPA1
SCHEMBL20484482 0.75 TRPA1 (0.52) CYP2A6PDE2AALDH1A1KDM4ESIGMAR1
SCHEMBL23088100 0.75 CYP2A6 (0.38) CYP2A6ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL22604881 0.75 PDE2A (0.41) CYP2A6PDE2AALDH1A1SIGMAR1CYP1A2
SCHEMBL26751155 0.74 MCL1 (0.34) ALDH1A1TSHRCYP1A2CYP3A4HPGD
SCHEMBL10014102 0.73 CYP2A6 (0.52) CYP2A6ALDH1A1TSHRKDM4ECASP1
SCHEMBL27527095 0.71 CYP2A6 (0.39) CYP2A6SIGMAR1ABCC9KCNJ11SLC6A3
SCHEMBL11020423 0.70 CYP2A6 (0.48) CYP2A6ALDH1A1TSHRKDM4ECASP1
SCHEMBL14612880 0.70 CYP2A6 (0.48) CYP2A6ALDH1A1TSHRKDM4ECASP1

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-20230357266-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF PROMEGA CORPORATION 2023-11-09 — — 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-20230357266-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF BTD, HLCS, TYR CYP2A6 626/4885PDE2A 4481/4885ALDH1A1 268/4885

“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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