SCHEMBL14937641

SCHEMBL14937641

O=[N+]([O-])c1ccc(Cl)c(OCCCBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
HPGD P15428 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
VCAM1 P19320 1/20 0.43
CYP19A1 P11511 7/20 0.42
MEN1 O00255 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
SCHEMBL4774235 0.92 HSD17B10 (0.51) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL10036380 0.85 MAPT (0.58) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL3538406 0.84 HSD17B10 (0.53) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL21331700 0.84 MAPT (0.60) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL10036151 0.83 HSD17B10 (0.51) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL1663340 0.83 CYP19A1 (0.59) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL12952804 0.82 CYP19A1 (0.62) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL2910058 0.82 MAPT (0.54) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL31534614 0.81 RAB9A (0.55) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL1929875 0.81 MAPT (0.60) MAPTHPGDRAB9ASMN1; SMN2LMNA

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 MAPT 3255/4885HPGD 757/4885RAB9A 1024/4885

“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.