SCHEMBL848016

SCHEMBL848016

Nc1cc(Br)c(C(F)(F)F)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
CFTR P13569 8/20 0.39
POLB P06746 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
NOTUM Q6P988 2/20 0.35
ADRB2 P07550 2/20 0.33
AR P10275 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL29399570 1.00 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL28920130 0.88 CA12 (0.39) CA12CA1CA2CA4CA6
SCHEMBL30084937 0.88 CA12 (0.39) CA12CA1CA2CA4CA6
SCHEMBL30084910 0.84 AR (0.45) CA12CA1CA2CA4CA6
SCHEMBL1094827 0.84 CA12 (0.41) CA12CA1CA2CA4CA6
SCHEMBL30296403 0.84 KIF11 (0.37) CA12CA1CA2CA4CA6
SCHEMBL26095784 0.84 KIF11 (0.37) CA12CA1CA2CA4CA6
SCHEMBL22445775 0.84 AR (0.45) CA12CA1CA2CA4CA6
SCHEMBL21816639 0.84 AR (0.45) CA12CA1CA2CA4CA6
SCHEMBL15797298 0.82 CA12 (0.40) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492188-B2 1H-benzo[D]imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 US disclosed
US-12479807-B2 Methods using HDAC11 inhibitors VALO HEALTH, INC. (US) 2025-11-25 US disclosed
EP-4200292-B1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-11-13 EP disclosed
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 US disclosed
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-09-21 US disclosed
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-09-21 US disclosed
EP-4200292-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS Bristol-Myers Squibb Company (US) 2023-06-28 EP disclosed
US-20220235018-A1 METHODS USING HDAC11 INHIBITORS Valo Health, LLC 2022-07-28 US disclosed
US-11345672-B2 Methods using HDAC11 inhibitors VALO HEALTH, INC. (US) 2022-05-31 US disclosed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
US-7541362-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 EP disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 US disclosed
EP-1551811-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Amgen Inc. (US) 2005-07-13 EP disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 US disclosed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 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 (9 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-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 CA12 4119/4885CA1 4639/4885CA2 2114/4885
US-11345672-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 CA12 1912/4885CA1 2041/4885CA2 3469/4885
US-12492188-B2 1H-benzo[D]imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis TLR9, TLR1, TLR7 CA12 4119/4885CA1 4639/4885CA2 2114/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 CA12 4775/4885CA1 4688/4885CA2 2509/4885
US-12479807-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 CA12 1912/4885CA1 2041/4885CA2 3469/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 CA12 2410/4885CA1 2896/4885CA2 790/4885
US-20220235018-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 CA12 1912/4885CA1 2041/4885CA2 3469/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 CA12 3961/4885CA1 1250/4885CA2 86/4885
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 CA12 4874/4885CA1 4804/4885CA2 4761/4885

“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.