SCHEMBL4015808

SCHEMBL4015808

N=C(N)NCc1ccc2c(c1)OCO2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
ALDH1A1 P00352 3/20 0.67
ALOX12 P18054 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.60
HPGD P15428 4/20 0.58
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
MMP13 P45452 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 3/20 0.56
RECQL P46063 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
NPC1 O15118 1/20 0.56
HSP90AA1 P07900 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL30496722 1.00 GAA (0.67) GAAALDH1A1ALOX12SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL28129391 0.98 GAA (0.65) GAAALDH1A1ALOX12SMN1; SMN2HPGD
Guabenxan SCHEMBL1172002 0.90 ALDH1A1 (0.56) GAAALDH1A1ALOX12SMN1; SMN2HPGD
SCHEMBL30226354 0.88 ALDH1A1 (0.60) GAAALDH1A1ALOX12SMN1; SMN2HPGD
SCHEMBL14868335 0.88 ALDH1A1 (0.60) GAAALDH1A1ALOX12SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL19371392 0.87 GAA (0.58) GAAALDH1A1ALOX12SMN1; SMN2HPGD
SCHEMBL17198858 0.84 TAAR1 (0.57) GAAALDH1A1ALOX12SMN1; SMN2LMNA
SCHEMBL4348050 0.84 ALDH1A1 (0.77) GAAALDH1A1ALOX12SMN1; SMN2HPGD
SCHEMBL7322125 0.84 SMN1; SMN2 (0.68) GAAALDH1A1ALOX12SMN1; SMN2HPGD
SCHEMBL19393845 0.83 GAA (0.55) GAAALDH1A1ALOX12SMN1; SMN2HPGD

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2009087395-A1 WEIGHT REDUCING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2009-07-16 WO disclosed
WO-2009087395-A1 WEIGHT REDUCING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2009-07-16 WO disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 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 (4 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 GAA 974/4885ALDH1A1 4635/4885ALOX12 3801/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 GAA 974/4885ALDH1A1 4635/4885ALOX12 3801/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 GAA 974/4885ALDH1A1 4635/4885ALOX12 3801/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 GAA 604/4885ALDH1A1 1471/4885ALOX12 3036/4885

“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.