SCHEMBL969270

SCHEMBL969270

Nc1cccc(-c2ccc(Br)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.67
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 2/20 0.54
MAP4K4 O95819 4/20 0.52
CYP3A4 P08684 3/20 0.50
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
MEN1 O00255 1/20 0.48
PSIP1 O75475 1/20 0.48
AXL P30530 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL31131353 0.88 MAOA (0.84) MAOACA12CA1CA2CA9
SCHEMBL19446666 0.88 MAOA (0.84) MAOACA12CA1CA2CA9
SCHEMBL29394565 0.88 MAOA (0.84) MAOACA12CA1CA2CA9
SCHEMBL29561461 0.88 MAOA (0.84) MAOACA12CA1CA2CA9
SCHEMBL311194 0.88 MAOA (0.84) MAOACA12CA1CA2CA9
SCHEMBL6689378 0.86 CYP17A1 (0.51) MAOACA12CA1CA2CA9
SCHEMBL19446605 0.85 MAOA (0.80) MAOACA12CA1CA2CA9
SCHEMBL9292677 0.84 MAOA (0.62) MAOACA12CA1CA2CA9
SCHEMBL250353 0.83 MAOA (0.76) MAOACA12CA1CA2CA9
SCHEMBL22104536 0.83 MAOA (0.95) MAOACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058312-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2023-02-23 US disclosed
US-20230058312-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2023-02-23 US disclosed
CN-115397806-A Aryl and heteroaryl compounds and their therapeutic use in conditions associated with altered activity of galactocerebrosidase 增益治疗股份有限公司 2022-11-25 CN disclosed
EP-4065546-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE Gain Therapeutics SA (CH) 2022-10-05 EP disclosed
WO-2021105906-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2021-06-03 WO disclosed
WO-2021105906-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2021-06-03 WO disclosed
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
WO-2009118596-A2 PHTHALIMIDE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-10-01 WO disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP disclosed
US-4990663-A Mixing 3,4-dichloroaniline with an amine compound to improve storage stability and minimize dechlorination E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-02-05 US disclosed
EP-0398542-A2 Process for preparing 3,4-dichloroaniline E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-11-22 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-20230058312-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GBA1, GALC, MAN2B1 MAOA 171/4885CA12 3143/4885CA1 3809/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 MAOA 3805/4885CA12 4053/4885CA1 4451/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 MAOA 2168/4885CA12 4811/4885CA1 4186/4885

“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.