SCHEMBL14948663

SCHEMBL14948663

CCCc1ccnc(CN=[N+]=[N-])c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SREBF2 Q12772 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CTSS P25774 1/20 0.31

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
SCHEMBL17832058 0.87 NOS3 (0.46) KDM4EALDH1A1SREBF2HDAC3HDAC1
SCHEMBL15409505 0.84 KDM4E (0.41) KDM4EALDH1A1HDAC3HDAC1HDAC2
SCHEMBL14945524 0.83 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL17123710 0.78 UHRF1 (0.41) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL487201 0.77 KDM4E (0.56) KDM4ELMNACYP3A4TSHRALDH1A1
SCHEMBL2619306 0.75 CYP1A2 (0.47) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL15284970 0.75 ALDH1A1 (0.39) KDM4EALDH1A1MAPTL3MBTL1HTR2C
SCHEMBL14068446 0.75 KDM4E (0.39) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL27592196 0.75 KDM4E (0.42) KDM4EALDH1A1
SCHEMBL15285044 0.74 NOS2 (0.53) KDM4ELMNAALDH1A1NOS2NOS3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168205-A1 METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-16 — — US disclosed
US-9212381-B2 Methods and compositions for labeling polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-15 — — US disclosed
US-20130122535-A1 METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-05-16 — — 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-20160168205-A1 METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES NPEPPS, PSMG3, PSMA6 KDM4E 2762/4885LMNA 1366/4885CYP3A4 4673/4885

“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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