SCHEMBL4578052

SCHEMBL4578052

CCCC(c1ccccc1)n1ccnc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 14/20 0.83
CYP19A1 P11511 3/20 0.57
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
USP2 O75604 1/20 0.50
ABCB11 O95342 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PLA2G1B P04054 1/20 0.50
TP53 P04637 1/20 0.50
PGR P06401 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
IDO1 P14902 1/20 0.50
HPGD P15428 1/20 0.50
MAOA P21397 1/20 0.50
CNR1 P21554 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL9784354 0.92 CYP17A1 (0.76) CYP17A1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL9910964 0.91 CYP17A1 (0.84) CYP17A1CYP19A1CYP11B1CYP11B2MEN1
Hydrochloric Acid SCHEMBL9996065 0.90 CYP17A1 (0.78) CYP17A1CYP19A1CYP3A4
SCHEMBL9791445 0.89 CYP17A1 (0.71) CYP17A1CYP3A4
SCHEMBL5297627 0.87 CYP17A1 (0.82) CYP17A1CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL7197664 0.86 CYP17A1 (0.64) CYP17A1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL9020912 0.86 CYP17A1 (0.64) CYP17A1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL9784364 0.85 CYP17A1 (0.70) CYP17A1CYP19A1CYP11B1CYP11B2CYP24A1
SCHEMBL10520031 0.84 CYP17A1 (0.66) CYP17A1CYP19A1CYP3A4
SCHEMBL9784415 0.84 CYP17A1 (0.70) CYP17A1CYP19A1CYP24A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-9856260-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2018-01-02 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-9403190-B2 Liquid composite compositions using non-volatile liquids and nanoparticles and uses thereof ESIONIC CORP. (US) 2016-08-02 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
US-9120121-B2 Liquid composite compositions using non-volatile liquids and nanoparticles and uses thereof ESIONIC CORP. (US) 2015-09-01 US disclosed
US-8540899-B2 a mixture of organic solvents, dispersed silica nanostructure particles and an electrolyte; gels used in electronics, capacitors, batteries, fuel cell membranes, dielectrics, electrochromic devices, dye sensitive solar cells, antistatic coatings or gas separation membranes ESIONIC ES, INC. (US) 2013-09-24 US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US disclosed
US-20080209876-A1 Liquid Composite Compositions Using Non-Volatile Liquids and Nanoparticles and Uses Thereof ZETTACORE, INC. (US) 2008-09-04 US disclosed
WO-2008098137-A2 LIQUID COMPOSITE COMPOSITIONS USING NON-VOLATILE LIQUIDS AND NANOPARTICLES AND USES THEREOF ZETTACORE, INC. (US) 2008-08-14 WO disclosed
EP-0340153-A1 N-substituted imidazoles, process for their preparation and their use in medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1989-11-02 EP 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 (5 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CYP17A1 979/4885CYP19A1 1280/4885CYP11B1 527/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 CYP17A1 979/4885CYP19A1 1280/4885CYP11B1 527/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 CYP17A1 1143/4885CYP19A1 1563/4885CYP11B1 737/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CYP17A1 979/4885CYP19A1 1280/4885CYP11B1 527/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CYP17A1 979/4885CYP19A1 1280/4885CYP11B1 527/4885

“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.