SCHEMBL9949544

SCHEMBL9949544

FC(F)(F)c1ccccc1Sc1cnc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.47
ULK1 O75385 1/20 0.42
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41
CYP1A2 P05177 1/20 0.41
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
TRPV1 Q8NER1 1/20 0.40
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
PTPN11 Q06124 1/20 0.37
MGAM O43451 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BACE1 P56817 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
NOTUM Q6P988 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL18795997 0.76 CYP1A2 (0.44) CYP1A2PDGFRBPDGFRAHPGDHTT
SCHEMBL28028241 0.74 CYP1A2 (0.48) SLC22A12CYP1A2PDGFRBPDGFRAHPGD
SCHEMBL29105728 0.73 HPGD (0.56) CYP1A2PDGFRBPDGFRAHPGDHTT
SCHEMBL30618060 0.73 HPGD (0.56) CYP1A2PDGFRBPDGFRAHPGDHTT
SCHEMBL6393371 0.72 PRKD3 (0.48) HTR2CHTR6PDGFRBPDGFRAPTPN11
Benzene SCHEMBL28157980 0.72 CYP1A2 (0.47) SLC22A12CYP1A2PDGFRBPDGFRAHPGD
SCHEMBL29484715 0.72 NOTUM (0.45) HTR2CHTR6PTPN11ALDH1A1PGR
SCHEMBL8863558 0.72 NOTUM (0.45) HTR2CHTR6PTPN11ALDH1A1PGR
SCHEMBL18796454 0.71 ALDH1A1 (0.55) HPGDHTTALDH1A1
SCHEMBL28061034 0.71 PDGFRB (0.58) CYP1A2PDGFRBPDGFRAALDH1A1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288410-B2 3-substituted quinolinium and 7H-indolo[2,3-c]quinolinium salts as new antiinfectives FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2012-10-16 US disclosed
US-8288410-B2 3-substituted quinolinium and 7H-indolo[2,3-c]quinolinium salts as new antiinfectives FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2012-10-16 US disclosed
US-8288410-B2 3-substituted quinolinium and 7H-indolo[2,3-c]quinolinium salts as new antiinfectives FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2012-10-16 US disclosed
US-20120165369-A1 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY 2012-06-28 US disclosed
US-20120165369-A1 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY 2012-06-28 US disclosed
US-20120165369-A1 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY 2012-06-28 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-20120165369-A1 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES IDO1, IDO2, NQO2 SLC22A12 2404/4885ULK1 2015/4885HTR2C 11/4885

“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.