SCHEMBL895700

SCHEMBL895700

Cc1ccccc1C(N)N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
ACHE P22303 2/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACP3 P15309 1/20 0.41
F2 P00734 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
SCN4A P35499 2/20 0.35

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
SCHEMBL24017139 0.83 ESR1 (0.54) ESR1ACHETSHRCYP3A4TDP1
SCHEMBL3256967 0.83 ESR1 (0.54) ESR1ACHETSHRCYP3A4TDP1
SCHEMBL517130 0.83 ESR1 (0.54) ESR1ACHETSHRCYP3A4TDP1
SCHEMBL12569046 0.83 ESR1 (0.54) ESR1ACHETSHRCYP3A4TDP1
SCHEMBL3255909 0.83 ESR1 (0.54) ESR1ACHETSHRCYP3A4TDP1
Hydrochloric Acid SCHEMBL30098276 0.81 ESR1 (0.52) ESR1ACHETSHRCYP3A4TDP1
SCHEMBL143737 0.81 ESR1 (0.52) ESR1ACHETSHRCYP3A4TDP1
SCHEMBL2332685 0.81 ESR1 (0.52) ESR1ACHETSHRCYP3A4TDP1
SCHEMBL3867592 0.81 ESR1 (0.52) ESR1ACHETSHRCYP3A4TDP1
Hydrochloric Acid SCHEMBL17137910 0.81 ESR1 (0.52) ESR1ACHETSHRCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4603478-A1 XYLENE DIISOCYANATE COMPOSITION AND PREPARATION METHOD THEREFOR Hanwha Solutions Corporation (KR) 2025-08-20 EP claimed
WO-2024252346-A1 CONTINUOUS RECYCLABLE ENZYMATIC PROCESS FOR PREPARATION OF SITAGLIPTIN OR SALTS THEREOF AMI LIFESCIENCES PRIVATE LIMITED (IN) 2024-12-12 WO claimed
WO-2024106985-A1 XYLENE DIISOCYANATE COMPOSITION AND PREPARATION METHOD THEREFOR 한화솔루션 주식회사 2024-05-23 WO claimed
US-20230227457-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN AARTI PHARMALABS LIMITED (IN) 2023-07-20 US claimed
EP-4164620-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN Aarti Industries Limited (IN) 2023-04-19 EP claimed
US-20230050418-A1 PRODUCTION OF BENZENE DERIVATIVES RHODIA OPERATIONS (FR) 2023-02-16 US claimed
US-11525074-B2 Two-component curing adhesive, laminated film, laminated film-manufacturing apparatus, and method for manufacturing laminated film DIC CORPORATION (JP) 2022-12-13 US claimed
EP-4073021-A1 PRODUCTION OF BENZENE DERIVATIVES RHODIA OPERATIONS (FR) 2022-10-19 EP claimed
WO-2021250702-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN AARTI INDUSTRIES LIMITED (IN) 2021-12-16 WO claimed
EP-3386935-B1 PRODUCTION OF XYLENE DERIVATIVES RHODIA OPERATIONS (FR) 2021-12-01 EP claimed
US-20150133628-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2015-05-14 US claimed
US-20150030887-A1 MAGNETIC DEVICES WITH MOLECULAR OVERCOATS SEAGATE TECHNOLOGY LLC (US) 2015-01-29 US claimed
US-8617417-B2 Cleaning composition, method for producing semiconductor device, and cleaning method FUJIFILM CORPORATION (JP) 2013-12-31 US claimed
US-20130123542-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2013-05-16 US claimed
EP-2522688-A1 POLYAMINE AND METHOD FOR PRODUCING THE SAME Rhodia Operations (FR) 2012-11-14 EP claimed
US-20110281436-A1 CLEANING COMPOSITION, METHOD FOR PRODUCING SEMICONDUCTOR DEVICE, AND CLEANING METHOD FUJIFILM CORPORATION (JP) 2011-11-17 US claimed
EP-2386623-A1 Cleaning composition, method for producing semiconductor device, and cleaning method Fujifilm Corporation (JP) 2011-11-16 EP claimed
US-20110253940-A1 Green Emitting Phosphor MITSUI MINING & SMELTING CO., LTD. (JP) 2011-10-20 US claimed
US-7534838-B2 Golf ball incorporating an amine-modified ionomer resin and method of making it TAYLOR MADE GOLF COMPANY, INC. (US) 2009-05-19 US claimed
US-20040236030-A1 Amine-modified ionomer resin TAYLOR MADE GOLF COMPANY, INC. 2004-11-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20230227457-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN DPP4, DPP9, DPP8 ESR1 2176/4885ACHE 285/4885TSHR 3219/4885
US-20230050418-A1 PRODUCTION OF BENZENE DERIVATIVES CBR1, CBR3, BLVRB ESR1 2781/4885ACHE 3492/4885TSHR 4355/4885

“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.