SCHEMBL18937408

SCHEMBL18937408

O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cncs1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.53
GRM5 P41594 1/20 0.41
KMT2A Q03164 3/20 0.40
PTGER4 P35408 7/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CNR1 P21554 2/20 0.38
BUB1 O43683 1/20 0.38
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL30695022 0.89 FSCN1 (0.68) FSCN1GRM5KMT2APTGER4HDAC1
SCHEMBL17038822 0.89 FSCN1 (0.68) FSCN1GRM5KMT2APTGER4HDAC1
SCHEMBL17199339 0.85 FSCN1 (0.55) FSCN1KMT2APTGER4CPT1A
SCHEMBL18937454 0.82 FSCN1 (0.59) FSCN1PTGER4HDAC1HDAC10HDAC6
SCHEMBL17199362 0.82 FSCN1 (0.56) FSCN1KMT2APTGER4HDAC1HDAC10
SCHEMBL17199424 0.82 FSCN1 (0.53) FSCN1PTGER4HDAC1HDAC10HDAC6
SCHEMBL17199347 0.82 FSCN1 (0.60) FSCN1PTGER4HDAC1HDAC10HDAC6
SCHEMBL17199318 0.80 FSCN1 (0.54) FSCN1PTGER4HDAC1HDAC10HDAC6
SCHEMBL18937544 0.80 FSCN1 (0.52) FSCN1KMT2APTGER4HDAC6HDAC3
SCHEMBL17199346 0.80 FSCN1 (0.58) FSCN1KMT2APTGER4HDAC1HDAC10

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 1 patent. 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

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 1/4885GRM5 1986/4885KMT2A 4757/4885

“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.