SCHEMBL29915017

SCHEMBL29915017

CC(=O)c1cc(Br)cc(C(F)F)c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAOB P27338 1/20 0.34
MAOA P21397 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL27002383 1.00 GABRA1 (0.34) GABRA1GABRB1SMN1; SMN2PTGDR2MAOB
SCHEMBL29366609 0.81 NOTUM (0.40) SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL26045754 0.81 NOTUM (0.40) SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL15197100 0.80 DGAT1 (0.42) SMN1; SMN2PTGDR2MAOBMAOAALDH1A1
SCHEMBL23087740 0.76 HDAC1 (0.41) SMN1; SMN2PTGDR2MAOBMAOAALDH1A1
SCHEMBL25994225 0.75 SMN1; SMN2 (0.40) SMN1; SMN2PTGDR2MAOBMAOAALDH1A1
SCHEMBL23087599 0.73 ALDH1A1 (0.42) SMN1; SMN2PTGDR2MAOBMAOAALDH1A1
SCHEMBL19126014 0.73 HPGD (0.41) SMN1; SMN2PTGDR2MAOBMAOAALDH1A1
SCHEMBL27002510 0.72 GPR35 (0.36) GABRA1GABRB1
SCHEMBL29915097 0.72 GPR35 (0.36) GABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
EP-4304720-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-01-17 EP disclosed
WO-2022192745-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-09-15 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 (1 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-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors PRMT1, PRMT5, PRMT6 GABRA1 4454/4885GABRB1 3802/4885SMN1; SMN2 2715/4885

“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.