Sugi Predict

Sugi Predict / Compounds / SCHEMBL3218987

SCHEMBL3218987

SCHEMBL3218987

O=Cc1ccc2c(c1)CCN2Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ RECQL P46063 2/20 0.46
▸ ALOX5 P09917 4/20 0.46
▸ EPHX2 P34913 2/20 0.46
▸ HTT P42858 1/20 0.45
▸ HKDC1 Q2TB90 1/20 0.45

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
SCHEMBL1461837 0.92 ALDH1A1 (0.56) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL15447282 0.86 HDAC6 (0.49) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL8778013 0.84 MEN1 (0.47) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL7706286 0.83 ESR1 (0.50) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL13690186 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL8268522 0.82 GRM5 (0.64) DDB1CRBNGRM5ACHE
SCHEMBL3851795 0.82 HDAC6 (0.53) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL17969050 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL7714753 0.80 HDAC1 (0.45) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL526096 0.80 CYP1A2 (0.43) HPGDALDH1A1KMT2AMEN1MAPT

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
JP-10279557-A — — None — — JP disclosed
US-9598364-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-21 — — US disclosed
US-20150368195-A1 INDOLINE COMPOUNDS FOR TREATMENT AND/OR PREVENTION OF INFLAMMATION DISEASES TAIPEI MEDICAL UNIVERSITY (TW) 2015-12-24 — — US disclosed
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2014-12-11 — — US disclosed
US-8846748-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2014-09-30 — — US disclosed
CN-101792411-B Method for synthesizing ethanesulfonamide CHANGZHOU SHENGYONG OPTO ELECTRONIC MATERIALS CO LTD 2012-05-30 — — CN disclosed
US-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2011-10-06 — — US disclosed
CN-101792411-A New method for combining ethyl sulfonamide CHANGZHOU SHENGYONG OPTO ELECTRONIC MATERIALS CO LTD 2010-08-04 — — CN disclosed
WO-2010004580-A2 PROCESS FOR PREPARING INDOLE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2010-01-14 — — WO disclosed
US-7557130-B2 Bicyclic heteroaromatic alanines UCB PHARMA, S.A. (BE) 2009-07-07 — — US disclosed
US-6025494-A CYCLIZATION OF DICARBONYL-SUBSTITUTED PYRIDOINDOLES YIELDS PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-02-15 — — US disclosed
EP-0976731-A1 PROCESS FOR PRODUCING 5-METHYLINDOLINES Ihara Chemical Industry Co., Ltd. (JP) 2000-02-02 — — EP disclosed
US-5859006-A CYCLIZATION; AMIDATION; SELECTIVE INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATASE SPECIFIC PHOSPHODIESTERASE; USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS; TADALAFIL CLAIMED ICOS CORPORATION (US) 1999-01-12 — — US disclosed
JP-H10279557-A PRODUCTION OF 5-METHYLINDOLINE IHARA CHEM IND CO LTD 1998-10-20 — — JP disclosed
EP-0740668-B1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE ICOS CORP (US) 1998-07-29 — — EP disclosed
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 — — EP disclosed
EP-0740668-A1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE LABORATORIES GLAXO WELLCOME S.A. (FR) 1996-11-06 — — EP disclosed
WO-1995019978-A1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE LABORATOIRES GLAXO WELLCOME S.A. (FR) 1995-07-27 — — WO disclosed
CN-1085894-A The indolinyl N-hydroxyurea of anti-inflammatory and N-hydroxamic acid derivs PFIZER (US) 1994-04-27 — — CN disclosed
WO-1994002459-A1 INDOLINYL N-HYDROZYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-02-03 — — 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 (3 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-20150368195-A1 INDOLINE COMPOUNDS FOR TREATMENT AND/OR PREVENTION OF INFLAMMATION DISEASES IDO1, IDO2, INMT HPGD 428/4885ALDH1A1 686/4885KMT2A 1660/4885
US-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B HPGD 299/4885ALDH1A1 654/4885KMT2A 899/4885
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B HPGD 299/4885ALDH1A1 654/4885KMT2A 899/4885

“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.