SCHEMBL107627

SCHEMBL107627

CC(C)(N)C(C)(C)N.NCCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.43
DNM1 Q05193 9/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.37

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
Ammonia Solution, Strong SCHEMBL9315030 0.96 NFKB1 (0.40) NFKB1DNM1CA12CA1CA2
SCHEMBL29172093 0.84 NFKB1 (0.50) NFKB1DNM1CA12CA1CA2
Ethylenediamine SCHEMBL1824068 0.84 CYP2D6 (0.40) CYP2D6
Chloromethane SCHEMBL9186830 0.79 NFKB1 (0.55) NFKB1DNM1CA12CA1CA2
Tetrahydrofuran SCHEMBL3836712 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL5199031 0.74 ALDH1A1 (0.35) NFKB1DNM1CA12CA1CA2
SCHEMBL2873269 0.74 ODC1 (0.33) NFKB1DNM1CA12CA1CA2
Methylamine SCHEMBL28440577 0.74
Ethane SCHEMBL28640294 0.74
SCHEMBL10425917 0.73 FDPS (0.31) TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114045526-B Self-supporting layered double-metal phosphide-graphite alkyne composite catalyst and preparation method and application thereof 北京理工大学 2023-02-03 CN claimed
CN-115322222-A Photocatalytic preparation method of ((alkylamino) methyl) diphenyl phosphine oxide compound 河南师范大学 2022-11-11 CN claimed
CN-109847806-B Polyion liquid-cerium oxide catalyst and preparation method and application thereof 厦门大学 2021-01-19 CN claimed
CN-111171253-B Preparation method of toughened epoxy resin and underfill 深圳市勇泰运科技有限公司 2020-11-17 CN claimed
CN-106380208-B High-thermal-conductivity silicon nitride-aluminum nitride complex-phase ceramic substrate for LED and preparation method thereof 广东创辉鑫材科技股份有限公司 2020-06-02 CN claimed
CN-111171253-A Preparation method of toughened epoxy resin and underfill 深圳市勇泰运科技有限公司 2020-05-19 CN claimed
CN-109553562-A The synthetic method of 2- propiono -1- pyrrolin 福州大学 2019-04-02 CN claimed
CN-109400605-A A kind of P2X7 receptor developer and preparation method thereof 复旦大学附属中山医院 2019-03-01 CN claimed
CN-108164649-A A kind of high-crosslinking-degree polymer microballoon with super macropore and preparation method thereof 北京石油化工学院 2018-06-15 CN claimed
CN-107899066-A Cation polyhydroxylated polymer embolism microball and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2018-04-13 CN claimed
CN-107854720-A Medicine-carried polyhydroxylated polymer embolism microball with radiography function and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2018-03-30 CN claimed
CN-105037626-B A kind of preparation method of the big particle diameter polymer microballoon of macropore 北京石油化工学院 2017-10-24 CN claimed
CN-106565584-A Preparing method for 3,4-bis(4-bromophenyl)-1H-pyrrole-2,5-diketone 东华大学 2017-04-19 CN claimed
CN-106380208-A High-thermal-conductivity silicon nitride-aluminum nitride multiphase ceramic substrate of LED and manufacturing method thereof 刘丽梅 2017-02-08 CN claimed
CN-105233807-A Method for preparing high-loading affinity chromatographic medium BEIJING INST PETROCHEM TECH 2016-01-13 CN claimed
US-20240239800-A1 PYRROLO[2,3-D]PYRIMIDIN-2-ONE ANTIMICROBIAL COMPOUNDS RIB-X PHARMACEUTICALS, INC. 2024-07-18 US disclosed
US-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 US disclosed
WO-1991003468-A1 DIFLUOROBENZONITRILES AND LIQUID-CRYSTAL MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-21 WO disclosed
US-4950798-A CHELATE COMPOUNDS AS CATALYSTS UNIVERSITY OF VICTORIA (CA) 1990-08-21 US disclosed
US-4278506-A Polymer solution purification PHILLIPS PETROLEUM COMPANY (US) 1981-07-14 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 (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-20240239800-A1 PYRROLO[2,3-D]PYRIMIDIN-2-ONE ANTIMICROBIAL COMPOUNDS LPO, MAVS, FPR2 NFKB1 578/4885DNM1 68/4885CA12 4866/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK NFKB1 1080/4885DNM1 2423/4885CA12 4411/4885

“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.