SCHEMBL17123710

SCHEMBL17123710

Cc1ccnc(CN=[N+]=[N-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ PLAU P00749 1/20 0.36
▸ HTR1A P08908 4/20 0.36
▸ ADRA1D P25100 4/20 0.36
▸ ADRA1A P35348 4/20 0.36
▸ ADRA1B P35368 4/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ SYK P43405 1/20 0.33

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
SCHEMBL15409505 0.81 KDM4E (0.41) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL17832058 0.81 NOS3 (0.46) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL27592196 0.79 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2
SCHEMBL14068446 0.79 KDM4E (0.39) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL15284970 0.79 ALDH1A1 (0.39) CCR1KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL14948663 0.78 KDM4E (0.37) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL15285044 0.78 NOS2 (0.53) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL14945524 0.77 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL29680059 0.77 CCR1 (0.53) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL16560329 0.74 CCR1 (0.40) CCR1CCR5CCR8KDM4EALDH1A1

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-20150274701-A1 NEW AZIDES, METHOD FOR PRODUCING SAME AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-10-01 — — 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-20150274701-A1 NEW AZIDES, METHOD FOR PRODUCING SAME AND APPLICATIONS THEREOF SOD1, DUOX1, DUOX2 UHRF1 877/4885CCR1 2931/4885CCR5 3947/4885

“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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