SCHEMBL3207157

SCHEMBL3207157

COCc1cc([N+](=O)[O-])ccc1Cl.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ACHE P22303 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
VCAM1 P19320 1/20 0.41
RORC P51449 2/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL863170 0.93 HSD17B10 (0.55) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL28695929 0.80 HSD17B10 (0.58) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL2474262 0.77 ALDH1A1 (0.51) LMNAALDH1A1GAAHTTF2RL3
SCHEMBL29625924 0.77 ALDH1A1 (0.51) LMNAALDH1A1GAAHTTF2RL3
SCHEMBL7020172 0.77 HSD17B10 (0.50) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL13241715 0.76 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL3229064 0.75 HSD17B10 (0.49) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL863443 0.75 HTT (0.57) LMNAALDH1A1KMT2AGAAHTT
SCHEMBL11317000 0.75 HTT (0.49) LMNAACHEALDH1A1KMT2AMEN1
SCHEMBL792497 0.75 ALDH1A1 (0.56) HSD17B10ACHEALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273885-B2 Fluoroboron compound having aromatic ring or salt thereof, and method for producing compound having cyclic ether-fused aromatic ring using the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-25 US disclosed
US-20100056788-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND METHOD FOR PRODUCING COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING USING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-04 US disclosed
EP-2062901-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING BY USING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-05-27 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 (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-20100056788-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND METHOD FOR PRODUCING COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING USING THE SAME FLI1, AFF1, MLLT3 HSD17B10 913/4885LMNA 1531/4885SMN1; SMN2 3967/4885

“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.