SCHEMBL316112

SCHEMBL316112

c1cc2cccc3ccccc3c-2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.57
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 3/20 0.52
HSD17B10 Q99714 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ATM Q13315 1/20 0.52

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
Hydrochloric Acid SCHEMBL2546050 0.97 TNF (0.55) TNFCA12CA1CA2CA9
SCHEMBL29399206 0.97 TNF (0.61) TNFCA12CA1CA2CA9
SCHEMBL27988223 0.97 TNF (0.61) TNFCA12CA1CA2CA9
SCHEMBL69345 0.97 TNF (0.61) TNFCA12CA1CA2CA9
Methane SCHEMBL29181734 0.95 TNF (0.59) TNFCA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL28321869 0.95 TNF (0.59) TNFCA12CA1CA2CA9
SCHEMBL27542612 0.95 TNF (0.59) TNFCA12CA1CA2CA9
SCHEMBL27937443 0.95 TNF (0.59) TNFCA12CA1CA2CA9
Hydrogen Sulfide SCHEMBL29156136 0.95 TNF (0.59) TNFCA12CA1CA2CA9
SCHEMBL3798335 0.94 CA12 (0.62) TNFCA12CA1CA2CA9

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP claimed
EP-2552919-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. Hoffmann-La Roche AG (CH) 2013-02-06 EP claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US claimed
US-8063040-B2 Triazabenzo[E]azulene derivatives for the treatment of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-22 US claimed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO claimed
WO-2011120877-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-06 WO claimed
US-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 US claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
CN-111655255-B Composition for preventing or treating neurodegenerative diseases comprising diterpenoid compounds 韩国生命工学研究院 2024-03-08 CN disclosed
EP-3724192-B1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2022-08-03 EP disclosed
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists RICHTER GEDEON NYRT. (HU) 2022-04-12 US disclosed
EP-3724192-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS Richter Gedeon Nyrt. (HU) 2020-10-21 EP disclosed
WO-2019116324-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2019-06-20 WO disclosed
WO-2019116325-A1 TRICYCLIC COMPOUNDS AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2019-06-20 WO disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (3 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-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists AVPR1B, AVPR1A, AVPR2 TNF 2735/4885CA12 3240/4885CA1 1131/4885
US-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 TNF 1163/4885CA12 4436/4885CA1 3857/4885
US-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors TGFBR1, TGFBR2, ACVR1 TNF 262/4885CA12 2801/4885CA1 3516/4885

“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.