Sugi Predict

Sugi Predict / Compounds / SCHEMBL17199331

SCHEMBL17199331

SCHEMBL17199331

N#Cc1ccccc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ TSHR P16473 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GCGR P47871 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTT P42858 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL17039009 0.86 MAPT (0.55) ALDH1A1SMN1; SMN2HTR6MAPK1L3MBTL1
SCHEMBL17039013 0.86 RXFP1 (0.47) ALDH1A1SMN1; SMN2HTR6MAPK1L3MBTL1
SCHEMBL17039024 0.85 HDAC1 (0.51) ALDH1A1SMN1; SMN2HTR6MAPK1L3MBTL1
SCHEMBL17038866 0.85 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HTR6MAPK1L3MBTL1
SCHEMBL17039011 0.83 POLB (0.55) ALDH1A1SMN1; SMN2HTR6MAPK1L3MBTL1
SCHEMBL17038967 0.83 MAPT (0.49) ALDH1A1SMN1; SMN2HTR6MAPK1L3MBTL1
SCHEMBL17038855 0.82 RXFP1 (0.49) ALDH1A1SMN1; SMN2HTR6MAPK1L3MBTL1
SCHEMBL17038854 0.81 HTR6 (0.52) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL17038869 0.81 HTR6 (0.42) ALDH1A1SMN1; SMN2GCGRHTR6MAPK1
SCHEMBL17039017 0.81 MEN1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AHTR6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941141-B2 Compounds and methods for inhibiting fascin NOVITA PHARMACEUTICALS, INC. (US) 2021-03-09 — — US disclosed
US-20200039976-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2020-02-06 — — 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 (3 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 ALDH1A1 3976/4885SMN1; SMN2 35/4885TSHR 4499/4885
US-10941141-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF ALDH1A1 3976/4885SMN1; SMN2 35/4885TSHR 4499/4885
US-20200039976-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF ALDH1A1 3976/4885SMN1; SMN2 35/4885TSHR 4499/4885

“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.