SCHEMBL4361693

SCHEMBL4361693

CNc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.60
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ PDK1 Q15118 1/20 0.55
▸ PDK2 Q15119 1/20 0.55
▸ PDK3 Q15120 1/20 0.55
▸ PDK4 Q16654 1/20 0.55
▸ MAPT P10636 2/20 0.54
▸ RAB9A P51151 1/20 0.51
▸ POLB P06746 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ VCAM1 P19320 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ MCL1 Q07820 1/20 0.49

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
SCHEMBL11656718 0.85 HSD17B10 (0.60) HSD17B10MEN1KMT2AMAPTRAB9A
SCHEMBL7996823 0.82 MAPT (0.64) HSD17B10MEN1KMT2AMAPTALDH1A1
SCHEMBL9122336 0.81 HSD17B10 (0.60) HSD17B10MEN1KMT2APDK1PDK2
SCHEMBL28182819 0.81 MEN1 (0.56) HSD17B10MEN1KMT2APDK1PDK2
SCHEMBL9404930 0.80 VCAM1 (0.54) HSD17B10MEN1KMT2APDK1PDK2
Hydrochloric Acid SCHEMBL9594133 0.80 HSD17B10 (0.58) HSD17B10MEN1KMT2APDK1PDK2
SCHEMBL29036913 0.80 HSD17B10 (0.58) HSD17B10MEN1KMT2APDK1PDK2
SCHEMBL5201333 0.80 CYP19A1 (0.56) HSD17B10MEN1KMT2AMAPTALDH1A1
SCHEMBL30641927 0.80 KMT2A (0.66) MEN1KMT2APDK1PDK2PDK3
SCHEMBL38656198 0.80 CYP19A1 (0.56) HSD17B10MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 — — US disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 — — US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 — — US disclosed
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2003-08-14 — — US disclosed
WO-2003037346-A1 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 2003-05-08 — — WO disclosed
US-5084449-A Bactericides and antiprotozoa agents DR. KARL THOMAE GMBH (DE) 1992-01-28 — — US disclosed
US-4992430-A Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase DR. KARL THOMAE GMBH (DE) 1991-02-12 — — US disclosed
US-4829058-A INHIBITORS OF BACTERIA, MYCOBACTERIA AND PLASMODIA DR. KARL THOMAE GMBH (DE) 1989-05-09 — — US disclosed
EP-0165422-B1 SUBSTITUTED BIS-(4-AMINOPHENYL)-SULPHONES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1988-03-09 — — EP disclosed
EP-0165422-A1 Substituted bis-(4-aminophenyl)-sulphones, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1985-12-27 — — 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 (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-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 HSD17B10 887/4885MEN1 3342/4885KMT2A 252/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 HSD17B10 797/4885MEN1 3480/4885KMT2A 280/4885

“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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