SCHEMBL17199347

SCHEMBL17199347

O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.60
PTGER4 P35408 8/20 0.50
CPT1A P50416 1/20 0.50
CPT1B Q92523 1/20 0.50
HDAC6 Q9UBN7 3/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2RL3 Q96RI0 1/20 0.43

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
SCHEMBL17199351 0.92 FSCN1 (0.57) FSCN1PTGER4CPT1ACPT1BHDAC6
SCHEMBL959604 0.91 FSCN1 (0.62) FSCN1PTGER4CPT1ACPT1BHDAC6
SCHEMBL17199343 0.89 PTGER4 (0.52) FSCN1PTGER4CPT1ACPT1BADORA3
SCHEMBL17199433 0.89 SMN1; SMN2 (0.53) FSCN1PTGER4CPT1ACPT1BADORA3
SCHEMBL18937544 0.89 FSCN1 (0.52) FSCN1PTGER4HDAC6HDAC3HDAC2
SCHEMBL17199424 0.89 FSCN1 (0.53) FSCN1PTGER4CPT1ACPT1BHDAC6
SCHEMBL17038972 0.88 FSCN1 (0.76) FSCN1PTGER4CPT1ACPT1BADORA3
SCHEMBL30695030 0.88 FSCN1 (0.76) FSCN1PTGER4CPT1ACPT1BADORA3
SCHEMBL18937375 0.86 FSCN1 (0.55) FSCN1PTGER4CPT1ACPT1BHDAC6
SCHEMBL17199332 0.85 FSCN1 (0.54) FSCN1PTGER4CPT1ACPT1BHDAC6

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-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
US-20150299191-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2015-10-22 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 (2 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-20150299191-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF FSCN1 1/4885PTGER4 4107/4885CPT1A 117/4885
US-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF FSCN1 1/4885PTGER4 4107/4885CPT1A 117/4885

“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.