SCHEMBL3897698

SCHEMBL3897698

NCCN1CCCCC1CO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.41
SPHK1 Q9NYA1 7/20 0.41
TERT O14746 3/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CFB P00751 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL2673565 0.94 SPHK2 (0.45) SPHK2SPHK1TERTPOLBL3MBTL1
SCHEMBL10688068 0.94 SPHK2 (0.45) SPHK2SPHK1TERTPOLBL3MBTL1
SCHEMBL1023833 0.94 SPHK2 (0.45) SPHK2SPHK1TERTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL31323595 0.92 SPHK2 (0.44) SPHK2SPHK1TERTPOLBL3MBTL1
SCHEMBL10867079 0.87 SPHK2 (0.45) SPHK2SPHK1TERTALDH1A1POLB
SCHEMBL3426506 0.83 SPHK2 (0.43) SPHK2SPHK1TERTALDH1A1POLB
SCHEMBL2672892 0.82 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1S1PR1
SCHEMBL2672891 0.82 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1S1PR1
SCHEMBL10687856 0.82 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1S1PR1
SCHEMBL10706159 0.82 S1PR1 (0.39) TERTS1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849024-A With as indoleamine 2, the benzimidazole and imidazopyridine imido of 3 dioxygenase inhibitor activities are for benzamide compound 吉利德科学公司 2018-03-27 CN claimed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
CN-107849024-A With as indoleamine 2, the benzimidazole and imidazopyridine imido of 3 dioxygenase inhibitor activities are for benzamide compound 吉利德科学公司 2018-03-27 CN disclosed
EP-3294732-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Gilead Sciences, Inc. (US) 2018-03-21 EP disclosed
WO-2016186967-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES, INC. (US) 2016-11-24 WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-7557215-B2 Anthraquinone compounds as anti cancer compounds SOMANTA LIMITED (GB) 2009-07-07 US disclosed
EP-1701939-B1 ANTHRAQUINONE COMPOUNDS AS ANTI CANCER COMPOUNDS SOMANTA LTD (GB) 2009-02-25 EP disclosed
WO-2008062252-A1 N-OXIDES OF CYTOTOXIC ANTHRAQUINONES AS HYPOXIA-TARGETING PRODRUGS IN CANCER TREATMENT ACCESS PHARMACEUTICALS, INC (US) 2008-05-29 WO disclosed
US-20080027107-A1 Antharquinone Compounds as Anti Cancer Compounds SOMANTA LIMITED (GB) 2008-01-31 US disclosed
CN-1934079-A Anthraquinone compounds as anti cancer compounds SOMANTA LTD (GB) 2007-03-21 CN disclosed
EP-1701939-A1 ANTHRAQUINONE COMPOUNDS AS ANTI CANCER COMPOUNDS Somanta Limited (GB) 2006-09-20 EP disclosed
WO-2005061453-A1 ANTHARQUINONE COMPOUNDS AS ANTI CANCER COMPOUNDS SOMANTA LIMITED (GB) 2005-07-07 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 (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-20080027107-A1 Antharquinone Compounds as Anti Cancer Compounds TOP2A, TOP2B, RECQL SPHK2 1426/4885SPHK1 1730/4885TERT 3152/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT SPHK2 2504/4885SPHK1 2460/4885TERT 4494/4885

“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.