SCHEMBL7951987

SCHEMBL7951987

O=S1(=O)N=C(NCc2ccncc2)Nc2ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 1/20 0.52
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
HTT P42858 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ROCK2 O75116 1/20 0.40
GRK2 P25098 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 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
SCHEMBL7952406 0.93 HTT (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24050283 0.90 ALDH1A1 (0.52) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7951970 0.89 HTT (0.41) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7957457 0.88 TAAR1 (0.50) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24050701 0.88 ALDH1A1 (0.56) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24050282 0.88 ALDH1A1 (0.50) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7953000 0.87 ALDH1A1 (0.47) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7952189 0.85 TAAR1 (0.42) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24050277 0.85 SMN1; SMN2 (0.50) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7953157 0.84 NAMPT (0.40) ALDH1A1LMNACYP1A2CYP3A4CYP2D6

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 10 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-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 ALDH1A1 1132/4885LMNA 4484/4885CYP1A2 536/4885
US-20230101009-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNJ2, KCNJ11 ALDH1A1 943/4885LMNA 2093/4885CYP1A2 2573/4885
US-20210040148-A1 THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNJ2, KCNJ11 ALDH1A1 943/4885LMNA 2093/4885CYP1A2 2573/4885
US-12209140-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 ALDH1A1 943/4885LMNA 2093/4885CYP1A2 2573/4885
US-20170002040-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA KCNJ1, KCNK4, KCNK2 ALDH1A1 1014/4885LMNA 2066/4885CYP1A2 3097/4885
US-11505572-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 ALDH1A1 943/4885LMNA 2093/4885CYP1A2 2573/4885
US-10981951-B2 Therapeutics for the treatment of glaucoma KCNJ1, KCNJ2, KCNJ11 ALDH1A1 943/4885LMNA 2093/4885CYP1A2 2573/4885

“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.