SCHEMBL6536280

SCHEMBL6536280

O=Cc1cc([N+](=O)[O-])ccc1SCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
ERN1 O75460 1/20 0.48
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
CTSB P07858 2/20 0.44
RIPK1 Q13546 1/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6922628 0.86 CYP1A2 (0.55) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8395124 0.84 GSTP1 (0.50) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9831511 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8394925 0.83 ERN1 (0.44) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL23092512 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30876805 0.80 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8781039 0.80 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6191726 0.80 PDE7A (0.62) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29900461 0.80 MEN1 (0.60) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29900473 0.80 PDE7A (0.62) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-6703387-B2 STYRYLBENZODIAZEPINES HOFFMANN-LA ROCHE INC. 2004-03-09 US disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
EP-1299364-A1 BENZODIAZEPINES AS INHIBITORS OF HPV E1 HELICASE F. HOFFMANN-LA ROCHE AG (CH) 2003-04-09 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 US disclosed
US-20020128262-A1 Inhibitors of HPV E1 helicase enzyme F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-09-12 US disclosed
WO-2002000632-A1 BENZODIAZEPINES AS INHIBITORS OF HPV E1 HELICASE F. HOFFMANN-LA ROCHE AG (CH) 2002-01-03 WO disclosed
CN-1321153-A telomerase inhibitors and methods of use thereof GERON CORP (US) 2001-11-07 CN disclosed
WO-2001002377-A9 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORP (US) 2001-10-11 WO disclosed
EP-1109796-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002377-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2001-01-11 WO disclosed
US-5994563-A THIOPHENE DERIVATIVES, IMMUNOSUPPRESSANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-11-30 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 (2 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 ALDH1A1 2602/4885MEN1 2267/4885KMT2A 1472/4885
US-20020128262-A1 Inhibitors of HPV E1 helicase enzyme DHX15, DHX35, DHX36 ALDH1A1 589/4885MEN1 1769/4885KMT2A 1279/4885

“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.