Sugi Predict

Sugi Predict / Compounds / SCHEMBL9449722

SCHEMBL9449722

SCHEMBL9449722

O=[N+]([O-])c1cc[n+]([O-])c2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ ACHE P22303 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4733588 0.97 HTR2A (0.36) MAPTHTR2AHTR2CHTR2BMEN1
SCHEMBL23792086 0.81 MAPT (0.37) MAPTMEN1KMT2ASMN1; SMN2GFER
SCHEMBL5126377 0.79 HTR2A (0.33) MAPTHTR2AHTR2CHTR2BMEN1
SCHEMBL9452622 0.75 MAPT (0.47) MAPTHTR2AHTR2CHTR2BMEN1
SCHEMBL30503607 0.75 MAPT (0.47) MAPTHTR2AHTR2CHTR2BMEN1
SCHEMBL20899427 0.74 HTR2A (0.33) MAPTHTR2AHTR2CHTR2BALDH1A1
SCHEMBL8263271 0.71 PARP1 (0.34) HTR2C
SCHEMBL6440408 0.70 CYP1A2 (0.38) MAPTMEN1KMT2ASMN1; SMN2GFER
SCHEMBL20898072 0.69 ALDH1A1 (0.38) MAPTHTR2AHTR2CHTR2BMEN1
SCHEMBL10377637 0.68 ALDH1A1 (0.36) ALDH1A1TSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 — — US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 — — WO disclosed
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 — — US disclosed
CN-105377851-B BET bromodomain inhibitors and therapeutic methods using these inhibitors 密执安州立大学董事会 2018-07-20 — — CN disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 — — EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 — — US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 — — US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 — — US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
CN-105377851-A BET bromodomain inhibitors and therapeutic methods using these inhibitors UNIV MICHIGAN REGENTS 2016-03-02 — — CN disclosed
EP-2970312-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 — — EP disclosed
US-9238657-B2 Cephalosporin having catechol group SHIONOGI & CO., LTD. (JP) 2016-01-19 — — US disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 — — WO disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 — — US disclosed
US-20110190254-A1 CEPHALOSPORIN HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2011-08-04 — — US disclosed
US-5194439-A 5-HT Agonists or Antagonists, Nervous System Disorders, Hypotensive Agents JOHN WYETH & BROTHER LIMITED (GB) 1993-03-16 — — US disclosed
US-5075303-A Central nervous system disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-12-24 — — US 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 MAPT 66/4885HTR2A 1320/4885HTR2C 1032/4885
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 MAPT 2244/4885HTR2A 4199/4885HTR2C 4249/4885
US-20110190254-A1 CEPHALOSPORIN HAVING CATECHOL GROUP NRDC, LUC7L2, NR0B1 MAPT 4025/4885HTR2A 4410/4885HTR2C 2641/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 MAPT 2244/4885HTR2A 4199/4885HTR2C 4249/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 MAPT 2244/4885HTR2A 4199/4885HTR2C 4249/4885

“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.