SCHEMBL17199362

SCHEMBL17199362

O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cnon1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.56
PTGER4 P35408 8/20 0.42
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CNR1 P21554 1/20 0.40
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
BUB1 O43683 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
F2RL3 Q96RI0 1/20 0.36

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
SCHEMBL17038847 0.90 FSCN1 (0.71) FSCN1PTGER4HDAC6HDAC1HDAC10
SCHEMBL30501114 0.90 FSCN1 (0.71) FSCN1PTGER4HDAC6HDAC1HDAC10
SCHEMBL17199346 0.85 FSCN1 (0.58) FSCN1PTGER4HDAC6HDAC1HDAC10
SCHEMBL18937375 0.84 FSCN1 (0.55) FSCN1PTGER4HDAC6HDAC1HDAC10
SCHEMBL17199347 0.84 FSCN1 (0.60) FSCN1PTGER4HDAC6HDAC1HDAC10
SCHEMBL18937454 0.83 FSCN1 (0.59) FSCN1PTGER4HDAC6HDAC1HDAC10
SCHEMBL17199424 0.83 FSCN1 (0.53) FSCN1PTGER4HDAC6HDAC1HDAC10
SCHEMBL17199352 0.83 FSCN1 (0.52) FSCN1PTGER4HDAC6HDAC1HDAC10
SCHEMBL18937408 0.82 FSCN1 (0.53) FSCN1PTGER4HDAC6HDAC1HDAC10
SCHEMBL17199354 0.82 FSCN1 (0.53) FSCN1PTGER4HDAC6HDAC1HDAC10

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 4107/4885HDAC6 76/4885
US-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF FSCN1 1/4885PTGER4 4107/4885HDAC6 76/4885

“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.