SCHEMBL7975151

SCHEMBL7975151

NCCCCCCOc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.57
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
TSHR P16473 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1B P28222 1/20 0.49
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL11708352 0.98 L3MBTL1 (0.59) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL1249120 0.92 HTR1B (0.56) L3MBTL1MAPTTDP1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL14830577 0.90 KDM4E (0.57) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL1032880 0.86 KDM4E (0.68) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL7968991 0.85 TDP1 (0.54) L3MBTL1MAPTTDP1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6492504 0.84 KDM4E (0.72) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL9808263 0.81 L3MBTL1 (0.68) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL11662071 0.81 L3MBTL1 (0.62) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL8748237 0.81 L3MBTL1 (0.57) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL8956162 0.81 L3MBTL1 (0.57) L3MBTL1MAPTTDP1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604065-B2 Pyridyl cyanoguanidine derivatives Zhang, Hesheng (CN) 2013-12-10 US disclosed
US-20120309797-A1 PYRIDYL CYANOGUANIDINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-12-06 US disclosed
US-6303641-B1 FOR THERAPY AND PROPHYLAXIS OF DISEASES CHARACTERIZED BY ABNORMAL CELL DIFFERENTIATION AND/OR CELL PROLIFERATION SUCH AS PSORIASIS AND CANCER LEO PHARMACEUTICALS PRODUCTS LTD. (DK) 2001-10-16 US disclosed
EP-0984940-A1 CYANOAMIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-03-15 EP disclosed
WO-1998054147-A1 CYANOAMIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO disclosed
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 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 (1 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-20120309797-A1 PYRIDYL CYANOGUANIDINE DERIVATIVES PNPO, XDH, PDXK L3MBTL1 2477/4885MAPT 4716/4885TDP1 873/4885

“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.