SCHEMBL907368

SCHEMBL907368

CCSCc1cc(C(=O)CC)cc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RECQL P46063 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPT P10636 5/20 0.37
▸ UBE2N P61088 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL10033454 0.81 CYP3A4 (0.57) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL14784934 0.76 POLB (0.39) LMNAALDH1A1KDM4ESMN1; SMN2RECQL
SCHEMBL27519357 0.75 CYP3A4 (0.46) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL27571763 0.74 NPC1 (0.66) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL11066487 0.74 ALOX5 (0.49) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL11062715 0.73 NPC1 (0.46) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL26306816 0.72 CYP3A4 (0.42) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL21508637 0.72 CYP3A4 (0.42) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL14060334 0.71 TSHR (0.57) LMNAALDH1A1CYP1A2CYP2C9MAPT
SCHEMBL29656466 0.71 CYP3A4 (0.44) ALDH1A1GAASMN1; SMN2CYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133099-B1 Conjugated biological molecules and their preparation POLYTHERICS LTD (GB) 2017-04-19 — — EP disclosed
US-9439974-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2016-09-13 — — US disclosed
EP-2253330-B1 Conjugated biological molecules and their preparation POLYTHERICS LTD (GB) 2015-08-19 — — EP disclosed
EP-2277550-B1 Process for the preparation of conjugated biological molecules. POLYTHERICS LTD (GB) 2015-04-29 — — EP disclosed
US-20140369960-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION ABZENA (CAMBRIDGE) LIMITED (GB) 2014-12-18 — — US disclosed
US-8816051-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2014-08-26 — — US disclosed
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2011-07-28 — — US disclosed
US-7939630-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2011-05-10 — — US disclosed
EP-2277550-A1 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2011-01-26 — — EP disclosed
EP-2253330-A2 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2010-11-24 — — EP disclosed
EP-2133099-A2 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2009-12-16 — — EP disclosed
US-20090298154-A1 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2009-12-03 — — US disclosed
US-7595292-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2009-09-29 — — US disclosed
EP-1648518-B1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LTD (GB) 2009-08-26 — — EP disclosed
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group ABZENA (CAMBRIDGE) LIMITED (GB) 2006-09-21 — — US disclosed
EP-1648518-A2 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION Polytherics Limited (GB) 2006-04-26 — — EP disclosed
WO-2005007197-A2 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2005-01-27 — — WO 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-20140369960-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, F13A1, ZYX LMNA 543/4885ALDH1A1 3197/4885KDM4E 3446/4885
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, ZYX, F13A1 LMNA 614/4885ALDH1A1 3013/4885KDM4E 3851/4885
US-20090298154-A1 Conjugated biological molecules and their preparation F13B, ZYX, F13A1 LMNA 614/4885ALDH1A1 3013/4885KDM4E 3851/4885
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group F13A1, F13B, SSB LMNA 1265/4885ALDH1A1 4140/4885KDM4E 3193/4885

“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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