SCHEMBL17453941

SCHEMBL17453941

Fc1ccc(OCCl)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.33
▸ GRIN1 Q05586 4/20 0.33
▸ GRIN2B Q13224 4/20 0.33
▸ RXRA P19793 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ VCP P55072 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ PARP15 Q460N3 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31

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
SCHEMBL15710785 0.80 NQO1 (0.50) KDM4ENPC1MAPTHSD17B10CYP1A2
SCHEMBL19616678 0.77 KDM4E (0.36) MAOBKDM4EMAPTCYP1A2CYP2D6
SCHEMBL18586671 0.77 KDM4E (0.45) GRIN1GRIN2BRXRAKDM4EMAPT
SCHEMBL17175975 0.77 THRA (0.45) NPC1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL28358807 0.77 VCP (0.37) GRIN1GRIN2BRXRAVCP
SCHEMBL26426449 0.77 CA12 (0.43) MAOBNPC1MAPTCYP1A2CYP2D6
SCHEMBL29887030 0.77 KDM4E (0.36) MAOBKDM4EMAPTCYP1A2CYP2D6
SCHEMBL23364799 0.76 PDK2 (0.41) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8256153 0.76 KDR (0.41) MAOBKDM4EMAOAMAPK1
SCHEMBL31009815 0.76 CA12 (0.45) MAOBKDM4EMAOA

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-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 — — US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 — — 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 MAOB 2435/4885GRIN1 199/4885GRIN2B 548/4885

“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.

Send feedback