Sugi Predict

Sugi Predict / Compounds / SCHEMBL223709

SCHEMBL223709

SCHEMBL223709

CNc1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.68
▸ KIF11 P52732 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ PTPN1 P18031 2/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ APP P05067 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ NPC1 O15118 2/20 0.42

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
SCHEMBL17283460 1.00 TSHR (0.68) TSHRKIF11ALDH1A1PTPN1PTPN11
Hydrochloric Acid SCHEMBL1661206 0.97 TSHR (0.65) TSHRKIF11ALDH1A1PTPN1PTPN11
SCHEMBL21456066 0.93 TSHR (0.59) TSHRKIF11ALDH1A1PTPN1PTPN11
Biphenyl SCHEMBL8911205 0.92 TSHR (0.82) TSHRKIF11ALDH1A1KDM1ATAAR1
SCHEMBL24272977 0.91 TSHR (0.56) TSHRKIF11ALDH1A1PTPN1PTPN11
SCHEMBL5147226 0.88 KIF11 (0.64) TSHRKIF11ALDH1A1APPMEN1
SCHEMBL25973862 0.87 TSHR (0.59) TSHRKIF11ALDH1A1APPMEN1
SCHEMBL16182026 0.87 TSHR (0.67) TSHRKIF11ALDH1A1MEN1KMT2A
SCHEMBL10049785 0.84 NPC1 (0.61) TSHRKIF11ALDH1A1APPMEN1
SCHEMBL15305959 0.84 NPC1 (0.61) TSHRKIF11ALDH1A1APPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322132-B N-substituted indole compound and synthesis method thereof 陕西科技大学 2024-05-28 — — CN claimed
CN-115322132-A N-substituted indole compound and synthetic method thereof 陕西科技大学 2022-11-11 — — CN claimed
EP-2491009-B1 CYCLOPENTANECARBOXAMIDE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-07-05 — — EP claimed
JP-2868313-B2 — — 1999-03-10 — — JP claimed
EP-0454511-B1 N-substituted heterocycle derivatives, their preparation, compositions containing them SANOFI SA (FR) 1998-06-17 — — EP claimed
EP-0532410-A1 N-substituted heterocyclic derivatives as angiotensin II inhibitors SANOFI (FR) 1993-03-17 — — EP claimed
EP-0454511-A1 N-substituted heterocycle derivatives, their preparation, compositions containing them SANOFI (FR) 1991-10-30 — — EP claimed
WO-1991014679-A1 HETEROCYCLIC N-SUBSTITUTED DERIVATIVES, THEIR PREPARATION AND THEPHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1991-10-03 — — WO claimed
US-4962163-A ADVANCED POLYEPOXIDES AND EPOXY RESINS MODIFIED BY AN UNSATURATED CARBOXYLIC ACID; CURED COATING AND FILMS HAVINGI IMPROVED TENSILE AND FLEXURAL STRENGTH AND MODULUS THE DOW CHEMICAL COMPANY (US) 1990-10-09 — — US claimed
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 — — EP disclosed
EP-4452929-A1 DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE Immunic AG (DE) 2024-10-30 — — EP disclosed
EP-4063368-B1 NITROGEN-CONTAINING COMPOUND AND ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MAT CO LTD (CN) 2024-06-26 — — EP disclosed
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 — — US disclosed
CN-115322132-B N-substituted indole compound and synthesis method thereof 陕西科技大学 2024-05-28 — — CN disclosed
CN-1015264-B Process for preparing orally active phosphonohydroxyproline SQUIBB & SONS INC (US) 1992-01-01 — — CN disclosed
US-5066750-A Addition polymers with pendant phenyl groups which can be oriented like liquid crystals THE DOW CHEMICAL COMPANY (US) 1991-11-19 — — US disclosed
EP-0454511-A1 N-substituted heterocycle derivatives, their preparation, compositions containing them SANOFI (FR) 1991-10-30 — — EP disclosed
WO-1991014679-A1 HETEROCYCLIC N-SUBSTITUTED DERIVATIVES, THEIR PREPARATION AND THEPHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1991-10-03 — — WO disclosed
US-4962163-A ADVANCED POLYEPOXIDES AND EPOXY RESINS MODIFIED BY AN UNSATURATED CARBOXYLIC ACID; CURED COATING AND FILMS HAVINGI IMPROVED TENSILE AND FLEXURAL STRENGTH AND MODULUS THE DOW CHEMICAL COMPANY (US) 1990-10-09 — — US disclosed
EP-0379058-A2 Vinyl ester resins containing mesogenic/rigid rodlike moieties THE DOW CHEMICAL COMPANY (US) 1990-07-25 — — EP 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 (1 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-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 TSHR 3130/4885KIF11 2272/4885ALDH1A1 2705/4885

“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.