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SCHEMBL18538951

SCHEMBL18538951

COCc1cc(CO)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.43
▸ HTT P42858 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAOB P27338 2/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37

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
SCHEMBL11273785 0.87 CYP19A1 (0.50) HTTMEN1KMT2ALMNATSHR
SCHEMBL561018 0.87 CYP19A1 (0.48) TTRHTTMEN1KMT2ALMNA
SCHEMBL18545294 0.86 TSHR (0.51) HTTMEN1KMT2ALMNATSHR
SCHEMBL18407644 0.84 MEN1 (0.39) TTRHTTMEN1KMT2ALMNA
SCHEMBL18407537 0.84 TTR (0.39) TTRHTTMEN1KMT2ALMNA
SCHEMBL18538952 0.84 HTT (0.47) HTTMEN1KMT2ALMNATSHR
SCHEMBL716259 0.82 CYP19A1 (0.54) TTRHTTMEN1KMT2ALMNA
SCHEMBL14949281 0.82 ACHE (0.48) MEN1KMT2ALMNATSHRPOLB
SCHEMBL16960540 0.81 HTT (0.48) TTRHTTMEN1KMT2ALMNA
SCHEMBL12908868 0.81 ERN1 (0.38) TTRHTTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890179-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2018-02-13 — — US disclosed
US-9873708-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2018-01-23 — — US disclosed
US-20170050985-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-02-23 — — US disclosed
US-20170051011-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-02-23 — — US disclosed
US-20170050986-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-02-23 — — 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 (3 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-20170050986-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 TTR 4697/4885HTT 3221/4885MEN1 2011/4885
US-20170050985-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 TTR 4697/4885HTT 3221/4885MEN1 2011/4885
US-20170051011-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 TTR 4697/4885HTT 3221/4885MEN1 2011/4885

“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.