SCHEMBL3074944

SCHEMBL3074944

CSc1ccc(NC(C)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
MAPK1 P28482 1/20 0.70
PTGS2 P35354 1/20 0.68
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GAA P10253 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA12 O43570 1/20 0.59
BRD4 O60885 1/20 0.59
NR1I2 O75469 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MB P02144 1/20 0.59
CYP1A1 P04798 1/20 0.59
CA3 P07451 1/20 0.59
CYP3A4 P08684 1/20 0.59

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
SCHEMBL10217893 0.94 NOX1 (0.67) ALDH1A1KMT2AMEN1MAPK1PTGS2
SCHEMBL7044090 0.94 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPK1PTGS2
SCHEMBL7044085 0.91 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPK1PTGS2
SCHEMBL11227392 0.89 KMT2A (0.59) ALDH1A1KMT2AMEN1MAPK1PTGS2
SCHEMBL3959278 0.84 SMN1; SMN2 (0.64) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL5026270 0.84 SMN1; SMN2 (0.64) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL4910102 0.83 SMN1; SMN2 (0.57) ALDH1A1KMT2AMEN1MAPK1PTGS2
SCHEMBL861674 0.83 SMN1; SMN2 (0.84) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL836968 0.83 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPK1PTGS2
SCHEMBL27644436 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPK1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130872-B Preparation method of 3-trifluoromethyl substituted indole 江西师范大学 2018-01-30 CN claimed
US-11932601-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2024-03-19 US disclosed
EP-3746421-B1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2023-11-29 EP disclosed
EP-3795572-B1 DARUNAVIR PROPIONATE SOLVATE LAURUS LABS LTD (IN) 2023-11-15 EP disclosed
CN-116848100-A NOTCH inhibitors and uses thereof 干细胞协同疗法有限责任公司 2023-10-03 CN disclosed
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-04-20 US disclosed
CN-112574054-B Efficient nitriding reagent and application thereof 北京大学 2022-10-14 CN disclosed
US-20220274926-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2022-09-01 US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
EP-3510024-B1 PYRIDYL SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 EP disclosed
EP-0699743-A2 Electrorheological fluids containing polar solids and organic semiconductors THE LUBRIZOL CORPORATION (US) 1996-03-06 EP disclosed
US-5435932-A Polyanilines, clutches, brakes, valves, dampers THE LUBRIZOL CORPORATION (US) 1995-07-25 US disclosed
EP-0563342-A1 ELECTRORHEOLOGICAL FLUIDS CONTAINING ELECTRONICALLY CONDUCTIVE POLYMERS The Lubrizol Corporation (US) 1993-10-06 EP disclosed
WO-1993007243-A1 ELECTRORHEOLOGICAL FLUIDS CONTAINING ELECTRONICALLY CONDUCTIVE POLYMERS THE LUBRIZOL CORPORATION (US) 1993-04-15 WO disclosed
US-4735948-A (1H-tetrazol-5-yl)-2(1H)-quinolinones and-naphthyridones and antiallergic use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-05 US disclosed
EP-0120484-B1 (1H-TETRAZOL-5-YL)TETRAZOLO (1,5-A)-QUINOLINES AND RELATED COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-22 EP disclosed
EP-0120483-B1 (1H-TETRAZOL-5-YL)-2(1H)-QUINOLINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP disclosed
US-4540786-A Preparation of 2-chloro-3-cyano-quinolines THE DOW CHEMICAL COMPANY (US) 1985-09-10 US disclosed
US-4496569-A Antiallergic (1H-tetrazol-5-yl)tetrazolo[1,5-a]quinolines and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-01-29 US disclosed
EP-0120484-A1 (1H-tetrazol-5-yl)tetrazolo (1,5-a)-quinolines and related compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 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 (4 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-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS PCK1, SLC5A1, PFKFB1 ALDH1A1 345/4885KMT2A 2182/4885MEN1 2261/4885
US-11932601-B2 Immunoregulatory agents IDO1, IDO2, INMT ALDH1A1 219/4885KMT2A 1557/4885MEN1 3659/4885
US-20220274926-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT ALDH1A1 219/4885KMT2A 1557/4885MEN1 3659/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 ALDH1A1 2969/4885KMT2A 501/4885MEN1 2638/4885

“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.