SCHEMBL20314097

SCHEMBL20314097

Fc1ccc(COc2cccc(CNCC3CNC3)c2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PPARA Q07869 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ BCHE P06276 2/20 0.42
▸ F10 P00742 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL20314104 0.84 BCHE (0.49) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL20314193 0.80 MEN1 (0.49) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL21539303 0.80 BCHE (0.47) TDP1L3MBTL1BCHE
SCHEMBL20314177 0.80 BCHE (0.47) MEN1ALDH1A1MAPTTHRBPKM
SCHEMBL20314102 0.80 BCHE (0.47) MEN1ALDH1A1MAPTTHRBPKM
SCHEMBL20314122 0.80 BCHE (0.41) BCHEMAOB
SCHEMBL20324511 0.79 ANO1 (0.43) SMN1; SMN2PPARAMEN1ALDH1A1LMNA
SCHEMBL20314110 0.79 CXCR4 (0.45) SMN1; SMN2MEN1KMT2ABCHE
SCHEMBL20314200 0.79 MEN1 (0.43) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL20314092 0.79 MEN1 (0.43) SMN1; SMN2MEN1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2020-04-16 — — US disclosed
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof Basilea Pharmaceutica International AG (CH) 2019-11-05 — — US disclosed
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-06-28 — — US disclosed
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-06-28 — — 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 (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-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 SMN1; SMN2 3615/4885PPARA 3779/4885MEN1 3487/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 SMN1; SMN2 3660/4885PPARA 3763/4885MEN1 3443/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 SMN1; SMN2 3660/4885PPARA 3763/4885MEN1 3443/4885

“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