SCHEMBL7957355

SCHEMBL7957355

O=S1(=O)N=C(NCCc2ccccc2)Nc2ccc(Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
THRB P10828 1/20 0.50
ABCC8 Q09428 1/20 0.50
KCNJ11 Q14654 1/20 0.50
CXCR2 P25025 3/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PKM P14618 2/20 0.40
CDK9 P50750 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39

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
SCHEMBL24050513 0.93 TAAR1 (0.56) TAAR1CYP3A4ALDH1A1CYP2D6TSHR
SCHEMBL7957832 0.92 TAAR1 (0.55) TAAR1CYP3A4ALDH1A1CYP2D6TSHR
SCHEMBL24050730 0.92 TAAR1 (0.53) TAAR1CYP3A4ALDH1A1CYP2D6TSHR
SCHEMBL7957457 0.91 TAAR1 (0.50) TAAR1CYP3A4ALDH1A1CYP2D6TSHR
SCHEMBL24050283 0.88 ALDH1A1 (0.52) TAAR1CYP3A4ALDH1A1CYP2D6TSHR
SCHEMBL7956585 0.88 TAAR1 (0.48) TAAR1CYP3A4ALDH1A1CYP2D6TSHR
SCHEMBL24050241 0.86 TAAR1 (0.45) TAAR1ALDH1A1SMN1; SMN2CXCR2CCNC
SCHEMBL24050527 0.85 TAAR1 (0.49) TAAR1CYP3A4ALDH1A1CYP2D6TSHR
SCHEMBL7957027 0.83 TAAR1 (0.45) TAAR1CYP3A4ALDH1A1CYP2D6TSHR
SCHEMBL7950925 0.83 CYP1A2 (0.55) TAAR1CYP3A4ALDH1A1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209140-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2025-01-28 US disclosed
US-20230219912-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-13 US disclosed
US-20230101009-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-03-30 US disclosed
US-11505572-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2022-11-22 US disclosed
WO-2021236818-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2021-11-25 WO disclosed
US-10981951-B2 Therapeutics for the treatment of glaucoma MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-04-20 US disclosed
US-20210040148-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-02-11 US disclosed
US-20170002040-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2017-01-05 US disclosed
US-6242443-B1 1,2,4-benzothiadiazine derivatives, their preparation and use NOVO NORDISK AIS (DK) 2001-06-05 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 (7 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-20230219912-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER TFAM, NDUFAF1, NDUFV1 TAAR1 3194/4885CYP3A4 1002/4885ALDH1A1 1132/4885
US-20230101009-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNJ2, KCNJ11 TAAR1 2316/4885CYP3A4 1886/4885ALDH1A1 943/4885
US-20210040148-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNJ2, KCNJ11 TAAR1 2316/4885CYP3A4 1886/4885ALDH1A1 943/4885
US-12209140-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 TAAR1 2316/4885CYP3A4 1886/4885ALDH1A1 943/4885
US-20170002040-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNK4, KCNK2 TAAR1 2278/4885CYP3A4 2080/4885ALDH1A1 1014/4885
US-11505572-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 TAAR1 2316/4885CYP3A4 1886/4885ALDH1A1 943/4885
US-10981951-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 TAAR1 2316/4885CYP3A4 1886/4885ALDH1A1 943/4885

“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.