SCHEMBL4188002

SCHEMBL4188002

C[C@@H](CC1CCCCC1)NCc1ccccc1NC(=O)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
HSD17B10 Q99714 2/20 0.48
TSHR P16473 5/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
APLNR P35414 1/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
BCHE P06276 2/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL14344009 1.00 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10TSHRMAPK1
Hydrochloric Acid SCHEMBL4202482 0.99 ALDH1A1 (0.55) ALDH1A1MAPTHSD17B10TSHRMAPK1
SCHEMBL4189918 0.99 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10TSHRMAPK1
SCHEMBL4707714 0.90 MAPT (0.54) ALDH1A1MAPTHSD17B10TSHRMAPK1
SCHEMBL14343745 0.88 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10TSHRMAPK1
SCHEMBL4197411 0.85 ACKR3 (0.47) ALDH1A1MAPTLMNAL3MBTL1HPGD
SCHEMBL4188174 0.85 ACKR3 (0.47) ALDH1A1MAPTLMNAL3MBTL1HPGD
SCHEMBL4188354 0.84 SMN1; SMN2 (0.46) ALDH1A1MAPTHSD17B10LMNARAB9A
SCHEMBL4186552 0.83 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10TSHRMAPK1
SCHEMBL4192548 0.82 KMT2A (0.47) ALDH1A1HSD17B10TSHRNPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US disclosed
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 ALDH1A1 2744/4885MAPT 2269/4885HSD17B10 2205/4885

“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.