SCHEMBL5338932

SCHEMBL5338932

Cc1csc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 3/20 0.52
CYP2A6 P11509 1/20 0.51
CYP3A4 P08684 3/20 0.49
MAPT P10636 5/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 2/20 0.42
HSD17B10 Q99714 1/20 0.42
G6PD P11413 1/20 0.42
TLR9 Q9NR96 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL30059668 0.81 G6PD (0.43) ALDH1A1TDP1TSHRCYP2A6CYP3A4
SCHEMBL6789873 0.81 G6PD (0.43) ALDH1A1TDP1TSHRCYP2A6CYP3A4
SCHEMBL5256400 0.79 TDP1 (0.50) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL10375442 0.77 CYP2A6 (0.57) ALDH1A1TDP1TSHRCYP2A6CYP3A4
SCHEMBL2844302 0.76 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL4263947 0.76 TSHR (0.42) ALDH1A1TSHRCYP2A6MAPTMEN1
SCHEMBL6790964 0.74 KMT2A (0.53) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL9049774 0.74 MAPT (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2845980 0.74 NPC1 (0.46) ALDH1A1TDP1MAPTMEN1POLB
SCHEMBL11177470 0.74 MTNR1A (0.44) ALDH1A1TDP1MAPTPOLBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2005-10-13 US disclosed
EP-0292885-B1 CATALYTIC TRANSFER-HYDROGENATION WITH AROMATIC NITRO COMPOUNDS AS HYDROGEN ACCEPTOR BASF Aktiengesellschaft (DE) 1993-09-08 EP disclosed
US-4816461-A 7,8,9,10-tetrahydrothieno[3,2-e]pyrido[4,3-b] indole, a process for their preparation and medicaments containing them TROPONWERKE GMBH & CO. KG (DE) 1989-03-28 US disclosed
EP-0292885-A2 Catalytic transfer-hydrogenation with aromatic nitro compounds as hydrogen acceptor BASF Aktiengesellschaft (DE) 1988-11-30 EP disclosed
EP-0120439-B1 7,8,9,10-TETRAHYDROTHIENO-(3,2-E)-PYRIDO-(4,3-B)-INDOLES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1987-01-14 EP 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-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD17B3 ALDH1A1 378/4885TDP1 3589/4885TSHR 389/4885

“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.