SCHEMBL17039014

SCHEMBL17039014

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
HDAC6 Q9UBN7 5/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC9 Q9UKV0 1/20 0.50
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 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) POLBHDAC6HDAC1HDAC8HDAC2
SCHEMBL17039017 0.91 MEN1 (0.52) POLBHDAC6HDAC1HDAC8HDAC2
SCHEMBL17039026 0.90 HDAC6 (0.55) POLBHDAC6HDAC1HDAC8HDAC2
SCHEMBL17039007 0.90 RXFP1 (0.49) POLBHDAC6HDAC1HDAC8HDAC2
SCHEMBL17038962 0.90 POLB (0.48) POLBHDAC6HDAC1HDAC8HDAC2
SCHEMBL17195576 0.87 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC2HDAC9
SCHEMBL17038748 0.86 POLB (0.47) POLBHDAC6HDAC1HDAC8HDAC2
SCHEMBL17039013 0.86 RXFP1 (0.47) POLBHDAC6HDAC1HDAC8HDAC2
SCHEMBL17039018 0.85 MAPT (0.48) POLBHDAC6HDAC1HDAC8HDAC2
SCHEMBL17039043 0.85 FSCN1 (0.48) 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 POLB 1358/4885HDAC6 76/4885HDAC1 1006/4885
US-10227345-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF POLB 1358/4885HDAC6 76/4885HDAC1 1006/4885
US-20210340138-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF POLB 1358/4885HDAC6 76/4885HDAC1 1006/4885
US-11858929-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF POLB 1358/4885HDAC6 76/4885HDAC1 1006/4885
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 POLB 1691/4885HDAC6 86/4885HDAC1 382/4885
US-20180215757-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF POLB 1358/4885HDAC6 76/4885HDAC1 1006/4885
US-20200352911-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 POLB 1691/4885HDAC6 86/4885HDAC1 382/4885
US-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF POLB 1358/4885HDAC6 76/4885HDAC1 1006/4885
US-11701342-B2 Co-therapies including a metastasis inhibitor MIF, CXCL10, CCL2 POLB 1691/4885HDAC6 86/4885HDAC1 382/4885
US-10941141-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF POLB 1358/4885HDAC6 76/4885HDAC1 1006/4885
US-20200039976-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF POLB 1358/4885HDAC6 76/4885HDAC1 1006/4885

“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.