SCHEMBL21501197

SCHEMBL21501197

CCOC(=O)C(F)(F)c1ccc(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ABCB11 O95342 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ IDO1 P14902 1/20 0.40
▸ GPR119 Q8TDV5 5/20 0.40
▸ POLB P06746 2/20 0.40
▸ CHRNA7 P36544 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ TARBP2 Q15633 1/20 0.40

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
SCHEMBL14332032 0.89 HTT (0.46) LMNAMAPTALDH1A1TDP1ABCB11
SCHEMBL29061260 0.81 ALDH1A1 (0.37) LMNAMAPTALDH1A1TDP1ABCB11
SCHEMBL3891001 0.80 KDM4E (0.48) MAPTALDH1A1CYP1A2CYP3A4POLB
SCHEMBL17113764 0.79 POLB (0.49) LMNAMAPTALDH1A1TSHRPOLB
SCHEMBL161047 0.79 MAPT (0.42) LMNAMAPTALDH1A1CYP1A2POLB
SCHEMBL20406093 0.79 KMT2A (0.41) LMNAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL14466833 0.78 KCNQ3 (0.42) IDO1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL17315771 0.78 GAA (0.54) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL11913028 0.78 ALDH1A1 (0.40) LMNAMAPTALDH1A1CYP1A2IDO1
SCHEMBL17118220 0.78 GABRA1 (0.37) LMNAMAPTPOLBSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-10-24 — — 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 (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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 LMNA 786/4885MAPT 308/4885ALDH1A1 2406/4885

“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.

Send feedback