SCHEMBL5018331

SCHEMBL5018331

CCCc1nc2cc(NC(=O)[C@H](CCc3ccccc3)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)ccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
MAPT P10636 6/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
IL6 P05231 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL5019099 0.81 SPHK1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5018378 0.80 CALCRL (0.39) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5018132 0.80 FAAH (0.38) RAB9ANPC1CHRNB2CHRNB4CHRNA3
SCHEMBL5018149 0.79 PLAU (0.48) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL5018305 0.79 FPR2 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5018181 0.79 CALCRL (0.39) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5018143 0.79 MMP2 (0.44) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13991940 0.78 CALCRL (0.43) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL5018174 0.78 METAP2 (0.49) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL5018131 0.78 ROCK1 (0.58)

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 RAB9A 495/4885NPC1 124/4885MAPT 4007/4885

“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.