SCHEMBL5018098

SCHEMBL5018098

CC(C)c1ccc(N(C(C)C)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
HTT P42858 1/20 0.38
CYP2C9 P11712 2/20 0.38
IDO1 P14902 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MGLL Q99685 1/20 0.35
LMNA P02545 3/20 0.35
NISCH Q9Y2I1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
PYCR1 P32322 1/20 0.34
BCL2 P10415 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
SCHEMBL20438385 0.86 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL18627679 0.81 IDO1 (0.43) TYRHTTCYP2C9IDO1ALDH1A1
SCHEMBL924268 0.79 TDP1 (0.52) CYP2C9TSHRALDH1A1LMNAKDM4E
SCHEMBL28535945 0.79 ALDH1A1 (0.43) ALDH1A1LMNAKDM4E
SCHEMBL20438389 0.78 SMN1; SMN2 (0.37) HTTTSHRALDH1A1LMNAMAPT
SCHEMBL12304286 0.78 ALDH1A1 (0.35) HTTCYP2C9TSHRALDH1A1KDM4E
SCHEMBL12922764 0.78 TYR (0.44) TYRHTTCYP2C9IDO1ALDH1A1
SCHEMBL18805967 0.78 TYR (0.44) TYRHTTCYP2C9IDO1ALDH1A1
SCHEMBL5023752 0.77 TYR (0.39) TYRHTTCYP2C9IDO1NPSR1
SCHEMBL104124 0.76 TYR (0.58) TYRHTTCYP2C9IDO1NPSR1

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-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND AUTOTAC INC. (KR) 2023-06-08 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-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 TYR 4753/4885HTT 3780/4885CYP2C9 3081/4885
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND UBR4, UBQLN2, UBTF TYR 3973/4885HTT 258/4885CYP2C9 4753/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 TYR 4753/4885HTT 3780/4885CYP2C9 3081/4885

“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.