SCHEMBL5019067

SCHEMBL5019067

N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPT P10636 5/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.50
NLRP3 Q96P20 1/20 0.50
GRIK1 P39086 1/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL21880131 0.92 MEN1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL21880132 0.92 MEN1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL966551 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL21529039 0.83 KIF11 (0.57) ALDH1A1POLBMAPTTP53
SCHEMBL21529038 0.83 KIF11 (0.57) ALDH1A1POLBMAPTTP53
SCHEMBL21880197 0.83 MAPT (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL21880198 0.83 MAPT (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3277359 0.82 TACR1 (0.60) POLBMAPTLMNAPKMTP53
SCHEMBL3277354 0.82 TACR1 (0.60) POLBMAPTLMNAPKMTP53
SCHEMBL21580312 0.81 TP53 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ALDH1A1 4062/4885MEN1 4473/4885KMT2A 3928/4885

“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.