SCHEMBL9570744

SCHEMBL9570744

CCc1cc(CC)cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 4/20 0.50
CYP19A1 P11511 1/20 0.48
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 2/20 0.41
GALR3 O60755 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
VCAM1 P19320 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5495288 0.95 HTT (0.57) HTTPOLBTSHRCYP19A1LMNA
SCHEMBL16960540 0.90 HTT (0.48) HTTPOLBTSHRCYP19A1LMNA
SCHEMBL11442603 0.90 TSHR (0.55) HTTPOLBTSHRCYP19A1LMNA
SCHEMBL18538952 0.88 HTT (0.47) HTTPOLBTSHRCYP19A1LMNA
SCHEMBL13598125 0.87 TSHR (0.65) HTTPOLBTSHRCYP19A1LMNA
SCHEMBL22133013 0.87 HTT (0.46) HTTPOLBTSHRCYP19A1LMNA
SCHEMBL1069365 0.86 HTT (0.48) HTTPOLBTSHRCYP19A1LMNA
SCHEMBL8570170 0.86 HTT (0.48) HTTPOLBTSHRCYP19A1LMNA
SCHEMBL18416742 0.86 HTT (0.48) HTTPOLBTSHRCYP19A1LMNA
SCHEMBL7786787 0.86 HTT (0.58) HTTPOLBTSHRCYP19A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-08-17 US disclosed
EP-3325482-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-06-24 EP disclosed
US-9890179-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2018-02-13 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
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 US disclosed
EP-0566783-A1 Process for the production of nitrodiarylamines AKZO N.V. (NL) 1993-10-27 EP disclosed
US-3962307-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 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 (4 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-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 HTT 3221/4885POLB 1906/4885TSHR 713/4885
US-20170050986-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 HTT 3221/4885POLB 1906/4885TSHR 713/4885
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 HTT 857/4885POLB 3723/4885TSHR 655/4885
US-20170051011-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 HTT 3221/4885POLB 1906/4885TSHR 713/4885

“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.