SCHEMBL193533

SCHEMBL193533

O=C(Cl)c1nc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HPGD P15428 3/20 0.58
PKM P14618 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
L3MBTL1 Q9Y468 4/20 0.57
LMNA P02545 3/20 0.57
ALOX15 P16050 2/20 0.57
TSHR P16473 1/20 0.57
CASP1 P29466 1/20 0.57
TP53 P04637 1/20 0.53
CNR1 P21554 2/20 0.52
CNR2 P34972 1/20 0.52
RECQL P46063 2/20 0.51
THRB P10828 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL6319718 0.84 ALDH1A1 (0.66) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL836745 0.82 SMN1; SMN2 (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL28727291 0.82 SMN1; SMN2 (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2170056 0.82 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL9360112 0.81 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1757329 0.81 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL569032 0.81 ALDH1A1 (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL27714204 0.81 SMN1; SMN2 (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL3610419 0.81 SMN1; SMN2 (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL369480 0.81 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
CN-115536646-A Nematicidal active compound and preparation method and application thereof 华东理工大学 2022-12-30 CN disclosed
CN-109608415-B Thiazole methanamide compound and synthesis and application thereof 暨南大学 2020-12-01 CN disclosed
CN-109608415-A Thiazole carboxamides class compound and its synthesis and application 暨南大学 2019-04-12 CN disclosed
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 EP disclosed
US-9174992-B2 Heterobicyclic compounds AMGEN INC. (US) 2015-11-03 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
EP-1594865-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 US disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
US-4326065-A PLASTICS, VARNISHES, POLYESTERS EASTMAN KODAK COMPANY (US) 1982-04-20 US disclosed
US-4251433-A BENZOTRIAZOLE DERIVATIVES; FOR POLYMERS EASTMAN KODAK COMPANY (US) 1981-02-17 US disclosed
US-4236013-A ADDITIVES FOR POLYMERS EASTMAN KODAK COMPANY (US) 1980-11-25 US disclosed
US-4137235-A ULTRAVIOLET STABILIZERS IN POLYMERIC COMPOSITIONS EASTMAN KODAK COMPANY (US) 1979-01-30 US disclosed
US-4116928-A Heterocylic ester, ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1978-09-26 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 (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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885RAB9A 1174/4885NPC1 262/4885
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR ALDH1A1 860/4885RAB9A 2930/4885NPC1 2586/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC ALDH1A1 634/4885RAB9A 3864/4885NPC1 2605/4885

“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.