SCHEMBL17199332

SCHEMBL17199332

O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.54
ADORA3 P0DMS8 1/20 0.45
EPHB3 P54753 1/20 0.44
PTGER4 P35408 5/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 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
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMO Q99835 2/20 0.40
JAK2 O60674 1/20 0.40
TYK2 P29597 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
SCHEMBL17038973 0.88 FSCN1 (0.70) FSCN1ADORA3EPHB3PTGER4HDAC1
SCHEMBL30501125 0.88 FSCN1 (0.70) FSCN1ADORA3EPHB3PTGER4HDAC1
SCHEMBL18532151 0.88 FSCN1 (0.53) FSCN1PTGER4HDAC1HDAC10HDAC6
SCHEMBL18937374 0.86 FSCN1 (0.59) FSCN1ADORA3EPHB3PTGER4HDAC1
SCHEMBL17199348 0.85 FSCN1 (0.51) FSCN1PTGER4HDAC1HDAC10HDAC6
SCHEMBL17199347 0.85 FSCN1 (0.60) FSCN1ADORA3PTGER4HDAC1HDAC10
SCHEMBL17199351 0.84 FSCN1 (0.57) FSCN1ADORA3PTGER4HDAC1HDAC10
SCHEMBL18532136 0.83 FSCN1 (0.54) FSCN1PTGER4HDAC1HDAC10HDAC6
SCHEMBL18937375 0.83 FSCN1 (0.55) FSCN1ADORA3PTGER4HDAC1HDAC10
SCHEMBL17199317 0.83 FSCN1 (0.51) FSCN1PTGER4HDAC1HDAC10HDAC6

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-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 (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-20150299191-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF FSCN1 1/4885ADORA3 4451/4885EPHB3 3892/4885

“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.