SCHEMBL578516

SCHEMBL578516

CCCN(CCC)CCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.44
DNM1 Q05193 8/20 0.33
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 1/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
HTR1A P08908 1/20 0.32
CA9 Q16790 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL1273910 1.00 LCK (0.44) LCKDNM1CA12CA2TSHR
SCHEMBL16807856 0.97 LCK (0.42) LCKDNM1CA12CA2TSHR
SCHEMBL14086886 0.97 LCK (0.42) LCKDNM1CA12CA2TSHR
SCHEMBL7861500 0.97 LCK (0.42) LCKDNM1CA12CA2TSHR
SCHEMBL12552468 0.91 LCK (0.50) LCKDNM1TSHRMEN1KMT2A
Ethylenediamine SCHEMBL28853668 0.90 DNM1 (0.35) LCKDNM1CA12CA2TSHR
Ethylenediamine SCHEMBL7607011 0.90 DNM1 (0.35) LCKDNM1CA12CA2TSHR
Propylamine SCHEMBL2796751 0.90 DNM1 (0.35) LCKDNM1CA12CA2TSHR
SCHEMBL13154393 0.89 LCK (0.48) LCKDNM1TSHRMEN1KMT2A
SCHEMBL2856760 0.89 LCK (0.48) LCKDNM1CA12TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434433-B2 Composition for removal of sulfur-containing compound KURARAY CO., LTD. (JP) 2022-09-06 US claimed
CN-113429715-B Phosphorylated polyvinyl alcohol/perfluorinated sulfonic acid resin compound and ion exchange membrane 国家电投集团氢能科技发展有限公司 2022-09-02 CN claimed
CN-114609259-A Method for separating and detecting genotoxic impurities 广东东阳光药业有限公司 2022-06-10 CN claimed
CN-113429715-A Phosphorylated polyvinyl alcohol/perfluorinated sulfonic acid resin compound and ion exchange membrane 国家电投集团氢能科技发展有限公司 2021-09-24 CN claimed
CN-112919488-A Improved silicon source of zeolite molecular sieve prepared by enhanced dissolution method 中国科学院深圳先进技术研究院 2021-06-08 CN claimed
CN-106398080-B A kind of ammonium cross-linking type block copolymer/graphene composite material and preparation method thereof 北京化工大学 2018-12-04 CN claimed
CN-105642136-B One kind containing soft segment and hard section copolymer ammonium cross-linking type anion-exchange membrane and preparation method thereof 北京化工大学 2018-07-27 CN claimed
CN-106398080-A Aminated cross-linked segmented copolymer/graphene composite material and preparation method thereof 北京化工大学 2017-02-15 CN claimed
WO-2016173960-A1 OPTIMIZED SYNTHESIS OF PREGABALIN AND 4-AMINOBUTANE ACID USING AN IMPROVED METHOD FOR PRODUCING CONJUGATED NITROALKENES K.H.S. PHARMA HOLDING GMBH (DE) 2016-11-03 WO claimed
EP-3088383-A1 OPTIMIZED SYNTHESIS OF PREGABALIN AND 4-AMINO BUTANOIC ACID USING AN IMPROVED PRODUCTION METHOD OF CONJUGATED NITROALKENES K.H.S. Pharma Holding GmbH (DE) 2016-11-02 EP claimed
US-20040097569-A1 Aryl substituted hydantoin compounds and their use as sodium channel blockers EURO-CELTIQUE S.A. 2004-05-20 US claimed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP claimed
EP-0748855-B1 Heatset intaglio printing ink SUN CHEMICAL CORP (US) 1999-07-07 EP claimed
US-5723514-A PARTIALLY CONJUGATED FATTY ACID ESTER OF EPOXY RESIN, (DIALKYLAMINO)ALKYLAMINE SUN CHEMICAL CORPORATION (US) 1998-03-03 US claimed
EP-0748855-A1 Heatset intaglio printing ink SUN CHEMICAL CORPORATION (US) 1996-12-18 EP claimed
US-4957639-A Method for enhancing recovery of oil and compositions related thereto EMOX HIGH TECHNOLOGY, INC. (US) 1990-09-18 US claimed
US-4670521-A Process for producing tertiary amino group-containing vinyl polymers and curable resin compositions based on these polymers DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-06-02 US claimed
US-4634736-A PAINTS DAINIPPON INK & CHEMICALS (JP) 1987-01-06 US claimed
US-4605740-A Process for the production of N-substituted acrylic acid amides CHEMISCHE FABRIK STOCKHAUSEN GMBH (DE) 1986-08-12 US claimed
US-4107308-A HYPOTENSIVE AGENTS, HERBICIDES, REACTING SODIUM SALT WITH ALLYL OR ALKYL HALIDE, RING CLOSURE AMERICAN CYANAMID COMPANY (US) 1978-08-15 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-11434433-B2 Composition for removal of sulfur-containing compound CBS, CTH, MPST LCK 4203/4885DNM1 4388/4885CA12 631/4885
US-20040097569-A1 Aryl substituted hydantoin compounds and their use as sodium channel blockers SCN1A, CACNA1S, SCN1B LCK 4604/4885DNM1 3134/4885CA12 4111/4885

“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.