SCHEMBL17039017

SCHEMBL17039017

O=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 3/20 0.52
TP53 P04637 1/20 0.51
HDAC6 Q9UBN7 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SENP8 Q96LD8 1/20 0.48

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
SCHEMBL17039011 0.92 POLB (0.55) POLBTP53HDAC6HDAC1HDAC8
SCHEMBL17039014 0.91 POLB (0.52) POLBHDAC6HDAC1HDAC8HDAC2
SCHEMBL17039026 0.90 HDAC6 (0.55) POLBTP53HDAC6HDAC1HDAC8
SCHEMBL17039018 0.90 MAPT (0.48) MEN1KMT2APOLBTP53HDAC6
SCHEMBL17038962 0.90 POLB (0.48) MEN1KMT2APOLBHDAC6HDAC1
SCHEMBL17195555 0.88 HDAC6 (0.57) MEN1KMT2APOLBTP53HDAC6
SCHEMBL17038968 0.87 HTT (0.50) MEN1KMT2APOLBTP53HDAC6
SCHEMBL17038748 0.86 POLB (0.47) MEN1KMT2APOLBHDAC6HDAC1
SCHEMBL17039009 0.86 MAPT (0.55) POLBHDAC6HDAC1HDAC8HDAC2
SCHEMBL17039007 0.85 RXFP1 (0.49) POLBHDAC6HDAC1HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858929-B2 Compounds and methods for inhibiting fascin CORNELL UNIVERSITY (US) 2024-01-02 US disclosed
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR NOVITA PHARMACEUTICALS, INC. (US) 2023-10-05 US disclosed
US-11701342-B2 Co-therapies including a metastasis inhibitor CORNELL UNIVERSITY (US) 2023-07-18 US disclosed
US-20210340138-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN NOVITA PHARMACEUTICALS, INC. 2021-11-04 US disclosed
EP-3107902-B1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIV CORNELL CENTER FOR TECHNOLOGY ENTERPRISE & COMMERCIALIZATION CCTEC (US) 2021-04-07 EP disclosed
US-10941141-B2 Compounds and methods for inhibiting fascin NOVITA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200352911-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR CORNELL UNIVERSITY 2020-11-12 US disclosed
US-20200039976-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2020-02-06 US disclosed
WO-2019104067-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR CORNELL UNIVERSITY (US) 2019-05-31 WO disclosed
US-10227345-B2 Compounds and methods for inhibiting fascin CORNELL UNIVERSITY (US) 2019-03-12 US disclosed
US-20180215757-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2018-08-02 US disclosed
US-9850243-B2 Compounds and methods for inhibiting fascin NOVITA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
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
WO-2015127125-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY (US) 2015-08-27 WO 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 (11 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 MEN1 3402/4885KMT2A 4757/4885POLB 1358/4885
US-10227345-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF MEN1 3402/4885KMT2A 4757/4885POLB 1358/4885
US-20210340138-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF MEN1 3402/4885KMT2A 4757/4885POLB 1358/4885
US-11858929-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF MEN1 3402/4885KMT2A 4757/4885POLB 1358/4885
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 MEN1 821/4885KMT2A 1480/4885POLB 1691/4885
US-20180215757-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF MEN1 3402/4885KMT2A 4757/4885POLB 1358/4885
US-20200352911-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 MEN1 821/4885KMT2A 1480/4885POLB 1691/4885
US-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF MEN1 3402/4885KMT2A 4757/4885POLB 1358/4885
US-11701342-B2 Co-therapies including a metastasis inhibitor MIF, CXCL10, CCL2 MEN1 821/4885KMT2A 1480/4885POLB 1691/4885
US-10941141-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF MEN1 3402/4885KMT2A 4757/4885POLB 1358/4885
US-20200039976-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF MEN1 3402/4885KMT2A 4757/4885POLB 1358/4885

“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.