SCHEMBL29454334

SCHEMBL29454334

Cc1cc(N)c(C)c(Cc2ccccc2Br)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
SLC2A1 P11166 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A4 P31645 6/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL22232946 1.00 DHFR (0.43) DHFRSLC2A1TAAR1IDO1ALDH1A1
SCHEMBL22232231 0.85 TAAR1 (0.39) DHFRSLC2A1TAAR1IDO1ALDH1A1
SCHEMBL22231978 0.84 TAAR1 (0.42) TAAR1ALDH1A1CYP1A2ALOX15CASP7
SCHEMBL29454251 0.83 DHFR (0.42) DHFRSLC2A1TAAR1IDO1ALDH1A1
SCHEMBL22232139 0.83 DHFR (0.42) DHFRSLC2A1TAAR1IDO1ALDH1A1
SCHEMBL29454303 0.81 PNMT (0.42) TAAR1IDO1ALDH1A1CYP1A2HSD17B10
SCHEMBL22232311 0.81 PNMT (0.42) TAAR1IDO1ALDH1A1CYP1A2HSD17B10
SCHEMBL22232123 0.81 MPO (0.41) TAAR1IDO1ALDH1A1SLC6A4SLC6A2
SCHEMBL28870156 0.81 TAAR1 (0.41) DHFRSLC2A1TAAR1IDO1ALDH1A1
SCHEMBL22232195 0.80 ADORA2A (0.42) DHFRSLC2A1TAAR1IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545639-B2 3-substituted phenylamidine compounds, preparation and use thereof PI INDUSTRIES LTD. (IN) 2026-02-10 US disclosed
US-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-24 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 (2 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-20220089523-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF H1-3, PRMT7, PFAS DHFR 891/4885SLC2A1 2503/4885TAAR1 1374/4885
US-12545639-B2 3-substituted phenylamidine compounds, preparation and use thereof CBR1, CBR3, HCCS DHFR 2392/4885SLC2A1 2345/4885TAAR1 445/4885

“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.