SCHEMBL9910964

SCHEMBL9910964

CCCCC(c1ccccc1)n1ccnc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 14/20 0.84
CYP19A1 P11511 4/20 0.54
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
USP2 O75604 1/20 0.48
ABCB11 O95342 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PLA2G1B P04054 1/20 0.48
TP53 P04637 1/20 0.48
PGR P06401 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
IDO1 P14902 1/20 0.48
HPGD P15428 1/20 0.48
MAOA P21397 1/20 0.48
CNR1 P21554 1/20 0.48
HTR2A P28223 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
SCHEMBL4578052 0.91 CYP17A1 (0.83) CYP17A1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL8973924 0.88 CYP17A1 (0.75) CYP17A1CYP19A1
SCHEMBL28553199 0.86 CYP17A1 (0.64) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL8973344 0.85 CYP17A1 (0.71) CYP17A1CYP19A1CYP3A4
SCHEMBL27484897 0.85 CYP17A1 (0.63) CYP17A1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL5297627 0.84 CYP17A1 (0.82) CYP17A1CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL20045564 0.83 CYP17A1 (0.61) CYP17A1CYP19A1CYP11B1CYP11B2CYP24A1
SCHEMBL9784354 0.83 CYP17A1 (0.76) CYP17A1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL9020912 0.83 CYP17A1 (0.64) CYP17A1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL27680475 0.82 CYP17A1 (0.63) CYP17A1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63035564-A None JP 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-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-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
JP-S6335564-A IMIDAZOLE DERIVATIVE AND PLANT GROWTH REGULATOR CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT HODOGAYA CHEM CO LTD 1988-02-16 JP 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 (4 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-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.