Sugi Predict

Sugi Predict / Compounds / SCHEMBL849646

SCHEMBL849646

SCHEMBL849646

COC(=O)Nc1cc(C)c(Br)cc1I

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ PKM P14618 3/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL18556040 0.84 RAB9A (0.36) HPGDALDH1A1CYP3A4MAPTKMT2A
SCHEMBL3924432 0.82 NPC1 (0.42) HPGDALDH1A1FAAHCYP3A4MAPK1
SCHEMBL879697 0.81 NOTUM (0.46) HPGDALDH1A1FAAHCYP3A4MAPK1
SCHEMBL23885564 0.78 PDK1 (0.37) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL30254163 0.78 PDK1 (0.37) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3927038 0.77 HPGD (0.46) HPGDALDH1A1FAAHCYP3A4MAPK1
SCHEMBL11658876 0.76 HPGD (0.67) HPGDALDH1A1FAAHCYP3A4MAPK1
SCHEMBL5234614 0.75 HPGD (0.51) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL3936374 0.74 HPGD (0.46) HPGDALDH1A1CYP3A4MAPTKMT2A
SCHEMBL3935331 0.72 HTT (0.42) HPGDALDH1A1CYP3A4MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730892-B2 Homoallylamines as formaldehyde-responsive triggers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-04 — — US disclosed
US-20180215773-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-02 — — US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 — — US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 — — EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 — — EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 — — US disclosed
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 — — EP disclosed
US-6933387-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2005-08-23 — — US disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 — — US disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 — — EP disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 — — US disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 — — EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 — — US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 — — WO disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 — — US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 — — 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 (7 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HPGD 2068/4885ALDH1A1 836/4885FAAH 4761/4885
US-20180215773-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS HCAR2, HCAR1, HTR2A HPGD 148/4885ALDH1A1 1031/4885FAAH 66/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 HPGD 2291/4885ALDH1A1 254/4885FAAH 160/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HPGD 1383/4885ALDH1A1 1203/4885FAAH 653/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A HPGD 2929/4885ALDH1A1 225/4885FAAH 167/4885
US-10730892-B2 Homoallylamines as formaldehyde-responsive triggers HCAR2, MTHFD2, AHCY HPGD 152/4885ALDH1A1 675/4885FAAH 54/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HPGD 2068/4885ALDH1A1 836/4885FAAH 4761/4885

“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.