SCHEMBL14937652

SCHEMBL14937652

CC(=O)Nc1ccc(Cl)c(OCCN(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.54
RORC P51449 3/20 0.53
KDR P35968 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
MAOA P21397 2/20 0.48
MCHR1 Q99705 1/20 0.48
ROCK2 O75116 1/20 0.46
GRM4 Q14833 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ESRRA P11474 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6541884 0.84 MCHR1 (0.48) RORCKDRHRH3MCHR1ROCK2
SCHEMBL8588916 0.84 HTR7 (0.50) UTS2RRORCKDRHRH3MCHR1
SCHEMBL14937407 0.83 RORC (0.56) RORCHDAC1HDAC2HDAC8HDAC6
SCHEMBL6814916 0.83 RORC (0.60) RORCKDRHRH3MCHR1ALDH1A1
SCHEMBL14937482 0.80 NPC1 (0.53) RORCGRM4ALDH1A1ESRRAMEN1
SCHEMBL14937582 0.79 RORC (0.57) RORCHDAC6GRM4ALDH1A1ESRRA
SCHEMBL8592660 0.79 CNR1 (0.47) RORCHRH3MAOAMCHR1ROCK2
SCHEMBL2683208 0.79 HRH3 (0.54) KDRHRH3MCHR1ALDH1A1MEN1
SCHEMBL6814919 0.78 RORC (0.54) RORCKDRHRH3HDAC1HDAC2
SCHEMBL8389361 0.77 UTS2R (0.53) UTS2RKDRHRH3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877752-B2 4(1H)-quinolones having antimalarial activity with reduced chemical resistance UNIVERSITY OF SOUTH FLORIDA (US) 2014-11-04 US disclosed
US-20130123258-A1 4(1H)-Quinolones Having Antimalarial Activity With Reduced Chemical Resistance NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-16 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 (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-20130123258-A1 4(1H)-Quinolones Having Antimalarial Activity With Reduced Chemical Resistance CDC25C, ABCC1, CDC25A UTS2R 2700/4885RORC 880/4885KDR 4659/4885

“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.