Sugi Predict

Sugi Predict / Compounds / SCHEMBL13860469

SCHEMBL13860469

SCHEMBL13860469

COc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.54
▸ PDE7A Q13946 1/20 0.53
▸ HTT P42858 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ GAA P10253 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ MAPT P10636 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 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
SCHEMBL2034628 0.83 HTT (0.54) PDE7AHTTTDP1MEN1KMT2A
SCHEMBL124556 0.82 TBXA2R (0.54) HTTTDP1MEN1KMT2AMAPT
SCHEMBL57125 0.82 HTT (0.68) HSD17B10HTTTDP1GAAPKM
SCHEMBL22069594 0.82 HSPB1 (0.61) HSD17B10PDE7AMEN1KMT2AGAA
SCHEMBL4229377 0.81 ALDH1A1 (0.55) HSD17B10PDE7AHTTTDP1MEN1
Ammonia Solution, Strong SCHEMBL7466943 0.81 HSD17B10 (0.51) HSD17B10PDE7AMEN1KMT2AGAA
SCHEMBL2028009 0.81 HTT (0.58) HTTTDP1MEN1KMT2AGAA
SCHEMBL6151811 0.80 MEN1 (0.55) HSD17B10PDE7AHTTTDP1MEN1
SCHEMBL4229181 0.80 ALDH1A1 (0.69) PDE7AHTTTDP1MEN1KMT2A
SCHEMBL31009421 0.80 ALDH1A1 (0.47) PDE7AHTTTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 — — US disclosed
US-9572811-B2 Treatment of dry eye PRINCIPIA BIOPHARMA INC. (US) 2017-02-21 — — US disclosed
EP-2710005-B1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2016-10-05 — — EP disclosed
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 — — US disclosed
US-9376438-B2 Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2016-06-28 — — US disclosed
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PRINCIPIA BIOPHARMA INC. 2016-02-18 — — US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US disclosed
US-20150353562-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US disclosed
US-9090621-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-07-28 — — US disclosed
US-20150182530-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2015-07-02 — — US disclosed
US-20140303161-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. 2014-10-09 — — US disclosed
US-20140303190-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-09 — — US disclosed
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-08-07 — — US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 — — US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 — — US disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 — — EP disclosed
US-8673925-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-03-18 — — US disclosed
WO-2014022569-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2014-02-06 — — WO disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 — — WO disclosed
WO-2012158795-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 — — 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 (9 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-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK HSD17B10 4385/4885PDE7A 3426/4885HTT 1576/4885
US-20140303161-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK HSD17B10 4385/4885PDE7A 3426/4885HTT 1576/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK HSD17B10 4385/4885PDE7A 3426/4885HTT 1576/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 HSD17B10 3741/4885PDE7A 1148/4885HTT 2088/4885
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK HSD17B10 4554/4885PDE7A 1343/4885HTT 2657/4885
US-20140303190-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK HSD17B10 4385/4885PDE7A 3426/4885HTT 1576/4885
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS BMX, BLK, TEC HSD17B10 4752/4885PDE7A 2612/4885HTT 2664/4885
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK HSD17B10 4554/4885PDE7A 1343/4885HTT 2657/4885
US-20150182530-A1 TREATMENT OF DRY EYE BTK, SYK, LYN HSD17B10 4430/4885PDE7A 1833/4885HTT 4495/4885

“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.