SCHEMBL4410330

SCHEMBL4410330

CC(=O)c1ccc2c(cnn2C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
MAOA P21397 2/20 0.59
ACHE P22303 1/20 0.59
AR P10275 3/20 0.50
VNN1 O95497 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
RAB9A P51151 1/20 0.50
CDK8 P49336 2/20 0.49
PTGER3 P43115 1/20 0.49
KDM2B Q8NHM5 1/20 0.49
ESR1 P03372 1/20 0.47
WNT1 P04628 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL1144709 0.86 MAOB (0.56) MAOBMAOAACHEARVNN1
SCHEMBL30159516 0.86 MAOB (0.56) MAOBMAOAACHEARVNN1
SCHEMBL20239415 0.86 CDK8 (0.58) MAOBMAOAACHEARVNN1
SCHEMBL29819532 0.86 CDK8 (0.58) MAOBMAOAACHEARVNN1
SCHEMBL27273152 0.85 MAOB (0.58) MAOBMAOAACHEARVNN1
SCHEMBL30159522 0.85 AR (0.66) MAOBMAOAACHEARVNN1
SCHEMBL15875020 0.85 AR (0.66) MAOBMAOAACHEARVNN1
SCHEMBL15332965 0.83 MAOB (0.53) MAOBMAOAACHEARVNN1
SCHEMBL23178566 0.83 MAOB (0.49) MAOBMAOAACHEARVNN1
SCHEMBL4145627 0.82 MAOB (0.52) MAOBMAOAACHEARVNN1

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-20250064823-A1 THIADIAZINE DERIVATIVES RICHTER GEDEON NYRT (HU) 2025-02-27 US disclosed
US-12194050-B2 Thiadiazine derivatives RICHTER GEDEON NYRT. (HU) 2025-01-14 US disclosed
EP-4442318-A2 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2024-10-09 EP disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 US disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
US-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 WO 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 (6 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-12194050-B2 Thiadiazine derivatives CHRNA5, CHRNA7, CHRNA1 MAOB 1129/4885MAOA 1373/4885ACHE 96/4885
US-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP3, TIMP3, MMP9 MAOB 1376/4885MAOA 1049/4885ACHE 1386/4885
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 MAOB 1188/4885MAOA 1873/4885ACHE 1360/4885
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA MAOB 1483/4885MAOA 1096/4885ACHE 1263/4885
US-20250064823-A1 THIADIAZINE DERIVATIVES CHRNA5, CHRNA7, CHRM5 MAOB 1111/4885MAOA 1362/4885ACHE 78/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MAOB 1483/4885MAOA 1096/4885ACHE 1263/4885

“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.