SCHEMBL4136871

SCHEMBL4136871

O=c1cnc2ccc(F)nc2n1CC1OCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 18/20 0.42
ALDH1A1 P00352 15/20 0.42
HSD17B10 Q99714 11/20 0.42
CASP1 P29466 6/20 0.42
CASP7 P55210 5/20 0.42
CLK4 Q9HAZ1 5/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 9/20 0.41
CYP2C19 P33261 8/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 12/20 0.40
HIF1A Q16665 5/20 0.40
CYP2C9 P11712 10/20 0.40
HPGD P15428 4/20 0.40
GLA P06280 4/20 0.40
USP2 O75604 4/20 0.40
GAA P10253 1/20 0.40
BRCA1 P38398 1/20 0.40
CYP2D6 P10635 2/20 0.39

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
SCHEMBL12090527 0.84 CYP1A2 (0.45) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL4137122 0.84 CYP1A2 (0.42) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL4139913 0.81 KCNH2 (0.49) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL12090780 0.80 KMT2A (0.42) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL4142229 0.78 ALDH1A1 (0.42) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL4141484 0.77 CYP1A2 (0.37) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL2798622 0.76 ALDH1A1 (0.43) CYP1A2ALDH1A1HSD17B10CASP1MAPK1
SCHEMBL4153118 0.76 CYP1A2 (0.44) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL4143815 0.75 CYP1A2 (0.39) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL2795578 0.72 KDM4E (0.64) ALDH1A1HSD17B10MAPK1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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 (3 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 CYP1A2 1852/4885ALDH1A1 3789/4885HSD17B10 1478/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 CYP1A2 1723/4885ALDH1A1 3409/4885HSD17B10 1172/4885
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 CYP1A2 1342/4885ALDH1A1 3693/4885HSD17B10 915/4885

“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.