SCHEMBL18532136

SCHEMBL18532136

O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1OC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.54
PTGER4 P35408 5/20 0.47
F2R P25116 1/20 0.42
KCNK3 O14649 4/20 0.41
KCNK9 Q9NPC2 4/20 0.41
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PNLIP P16233 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL17038996 0.91 FSCN1 (0.66) FSCN1PTGER4F2RKCNK3KCNK9
SCHEMBL30694980 0.91 FSCN1 (0.66) FSCN1PTGER4F2RKCNK3KCNK9
SCHEMBL18937374 0.85 FSCN1 (0.59) FSCN1PTGER4F2RRXFP1MAPT
SCHEMBL17199332 0.83 FSCN1 (0.54) FSCN1PTGER4CPT1ACPT1BCNR1
SCHEMBL18532151 0.83 FSCN1 (0.53) FSCN1PTGER4CPT1ACPT1BCNR1
SCHEMBL17195535 0.82 FSCN1 (0.66) FSCN1PTGER4CPT1ACPT1BSMN1; SMN2
SCHEMBL17038917 0.80 FSCN1 (0.64) FSCN1PTGER4CPT1ACPT1BCNR1
SCHEMBL30694976 0.80 FSCN1 (0.64) FSCN1PTGER4CPT1ACPT1BCNR1
SCHEMBL17199374 0.80 FSCN1 (0.51) FSCN1PTGER4CPT1ACPT1BMAPK8
SCHEMBL17199347 0.80 FSCN1 (0.60) FSCN1PTGER4CPT1ACPT1BSMN1; SMN2

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-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2017-06-08 US disclosed
US-9573946-B2 Compounds and methods for inhibiting fascin NOVITA PHARMACEUTICALS, INC. (US) 2017-02-21 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-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF FSCN1 1/4885PTGER4 4107/4885F2R 1399/4885

“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.