SCHEMBL19260918

SCHEMBL19260918

N#CCC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.54
HSD17B10 Q99714 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 1/20 0.54
IDO1 P14902 3/20 0.53
PLA2G10 O15496 1/20 0.53
PHGDH O43175 1/20 0.53
F2 P00734 1/20 0.53
CA2 P00918 1/20 0.53
PLA2G1B P04054 1/20 0.53
ARG1 P05089 1/20 0.53
LCK P06239 1/20 0.53
HTR1A P08908 1/20 0.53
CHRM1 P11229 1/20 0.53
ACE P12821 1/20 0.53
PLA2G2A P14555 1/20 0.53
GABRA1 P14867 1/20 0.53
MAOA P21397 1/20 0.53

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
SCHEMBL29410073 1.00 MAPT (0.54) MAPTHTTLMNAHSD17B10GRIN1
SCHEMBL19277838 0.88 ALDH1A1 (0.46) MAPTHTTLMNAHSD17B10GRIN1
SCHEMBL21972564 0.88 ALDH1A1 (0.62) MAPTHTTLMNAPLA2G1BALDH1A1
SCHEMBL19260915 0.88 MAPT (0.52) MAPTHTTLMNAHSD17B10GRIN1
SCHEMBL19277577 0.88 GAA (0.49) MAPTHTTLMNAHSD17B10GRIN1
SCHEMBL21972223 0.88 ALDH1A1 (0.56) MAPTHTTLMNAGRIN1GRIN2B
SCHEMBL19277574 0.85 CYP1A2 (0.58) MAPTHTTLMNAACHEALDH1A1
SCHEMBL19260916 0.85 ALDH1A1 (0.61) MAPTHTTLMNAHSD17B10GRIN1
SCHEMBL21972579 0.85 ALDH1A1 (0.60) MAPTHTTALDH1A1GAASMN1; SMN2
SCHEMBL9819126 0.84 CYP3A4 (0.63) MAPTHTTLMNAHSD17B10CA2

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
EP-3416958-B1 THIOSEMICARBAZIDES AS ANTIFUNGAL COMPOUNDS AND THEIR USES DANA FARBER CANCER INST INC (US) 2023-04-19 EP disclosed
US-11136291-B2 Antifungal compounds and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-05 US disclosed
US-11136291-B2 Antifungal compounds and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-05 US disclosed
US-20210147351-A9 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-20 US disclosed
US-20210147351-A9 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-20 US disclosed
US-20200140381-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-07 US disclosed
US-20200140381-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-07 US disclosed
EP-3416958-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2018-12-26 EP disclosed
WO-2017143230-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-24 WO disclosed
WO-2017143230-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-24 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 (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-20210147351-A9 ANTIFUNGAL COMPOUNDS AND USES THEREOF ERG28, DPM1, CYP51A1 MAPT 950/4885HTT 1724/4885LMNA 2600/4885
US-20200140381-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF ERG28, DPM1, CYP51A1 MAPT 950/4885HTT 1724/4885LMNA 2600/4885
US-11136291-B2 Antifungal compounds and uses thereof ERG28, DPM1, CYP51A1 MAPT 950/4885HTT 1724/4885LMNA 2600/4885

“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.