SCHEMBL3073635

SCHEMBL3073635

CCCCN(CCCC)C(=N)NC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH2 P05091 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
CA2 P00918 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 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
SCHEMBL28417961 0.94 CA12 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28415126 0.94 CA12 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2955338 0.94 CA12 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8498288 0.92 CA12 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8499444 0.92 CA12 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3421954 0.92 CA12 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8495268 0.92 CA12 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28905825 0.92 CA12 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2954535 0.92 CA12 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL19371460 0.90 CA12 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102725264-A Biguanide derivative, preparation method thereof, and pharmaceutical composition containing same as an active ingredient HANALL BIOPHARMA CO LTD 2012-10-10 CN claimed
US-10272055-B2 Therapeutic compounds and methods REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-04-30 US disclosed
US-20180177749-A1 USE OF CYP EXPRESSION TO DIRECT THERAPEUTIC INTERVENTION IN CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-28 US disclosed
US-20180177749-A1 USE OF CYP EXPRESSION TO DIRECT THERAPEUTIC INTERVENTION IN CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-28 US disclosed
US-20180177749-A1 USE OF CYP EXPRESSION TO DIRECT THERAPEUTIC INTERVENTION IN CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-28 US disclosed
US-20150342909-A1 THERAPEUTIC COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-03 US disclosed
US-20150342909-A1 THERAPEUTIC COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-03 US disclosed
CN-102725264-B Biguanide derivative, preparation method thereof, and pharmaceutical composition containing same as an active ingredient HANALL BIOPHARMA CO LTD 2014-12-17 CN disclosed
CN-102725264-A Biguanide derivative, preparation method thereof, and pharmaceutical composition containing same as an active ingredient HANALL BIOPHARMA CO LTD 2012-10-10 CN disclosed
CN-101263256-B Amphoteric stilbene composition HEWLETT PACKARD DEVELOPMENT CO 2011-07-06 CN disclosed
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
US-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
CN-1460472-A Biquanide vanadium complex plaster preparation for curing diabetes and its application YUE YI (CN) 2003-12-10 CN disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 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-20150342909-A1 THERAPEUTIC COMPOUNDS AND METHODS G6PD, BRCA1, BPGM GRIN2D 3378/4885GRIN3B 558/4885GRIN1 1422/4885
US-10272055-B2 Therapeutic compounds and methods G6PD, BRCA1, BPGM GRIN2D 3378/4885GRIN3B 558/4885GRIN1 1422/4885
US-20180177749-A1 USE OF CYP EXPRESSION TO DIRECT THERAPEUTIC INTERVENTION IN CANCER EPHX1, EPHX2, CYP4X1 GRIN2D 4537/4885GRIN3B 4267/4885GRIN1 4749/4885

“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.