SCHEMBL30313045

SCHEMBL30313045

NCc1cccc(C(F)(F)F)c1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
IDO1 P14902 2/20 0.44
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PNMT P11086 3/20 0.38
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CA2 P00918 1/20 0.35
POLQ O75417 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL9861604 0.82 GABRA1 (0.64) MAOBIDO1GABRA1GABRB2ALDH1A1
SCHEMBL18305266 0.80 IDO1 (0.40) MAOBIDO1GABRA1GABRB2ALDH1A1
SCHEMBL3510896 0.80 CA2 (0.61) GABRA1GABRB2ALDH1A1POLBTDP1
SCHEMBL41933 0.79 MAOB (0.47) MAOBIDO1ALDH1A1POLBTDP1
SCHEMBL43013 0.79 IDO1 (0.61) MAOBIDO1ALDH1A1POLBTDP1
SCHEMBL20182944 0.78 GABRA1 (0.55) GABRA1GABRB2ALDH1A1TDP1PNMT
SCHEMBL396017 0.78 CA2 (0.55) IDO1GABRA1GABRB2ALDH1A1POLB
SCHEMBL10949699 0.78 MAOB (0.46) MAOBIDO1ALDH1A1POLBTDP1
SCHEMBL8233448 0.78 MAOB (0.46) MAOBIDO1ALDH1A1POLBTDP1
SCHEMBL1635491 0.78 PNMT (0.54) MAOBIDO1ALDH1A1POLBTDP1

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-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2024-12-12 US disclosed
WO-2023059609-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 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-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE FGFR3, FGFR1, ERBB3 MAOB 4838/4885IDO1 3487/4885GABRA1 3398/4885

“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.