SCHEMBL274345

SCHEMBL274345

COCc1cc(Cl)ncn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.37
NOTUM Q6P988 1/20 0.35
KMO O15229 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.32
LMNA P02545 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
ENPP1 P22413 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30756402 0.80 ENPP1 (0.33) ALDH1A1LMNANPC1ENPP1SMN1; SMN2
SCHEMBL18900238 0.79 S1PR4 (0.38) S1PR4NOTUMALDH1A1MAPTPKM
SCHEMBL16841158 0.77 PKM (0.36) S1PR4ALDH1A1MAPTPKMLMNA
SCHEMBL25986789 0.77 HRH4 (0.34) S1PR4ALDH1A1MAPTPKMTDP1
SCHEMBL31658737 0.76 HDAC1 (0.31)
SCHEMBL1370741 0.76
SCHEMBL558512 0.75 PRKCE (0.34) S1PR4KMOALDH1A1MAPTPKM
SCHEMBL558322 0.75 CA2 (0.36) S1PR4KMOALDH1A1PKMLMNA
Methylene Chloride SCHEMBL27807279 0.75 PDE5A (0.33) S1PR4KMOALDH1A1LMNASMN1; SMN2
SCHEMBL7982137 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407435-B2 Diheteroaryl histone deacetylase inhibitors and their use in therapy KARUS THERAPEUTICS LIMITED (GB) 2019-09-10 US disclosed
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-07-11 US disclosed
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
US-9902742-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-18 US disclosed
US-20170313712-A1 DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2017-11-02 US disclosed
EP-3222619-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2017-09-27 EP disclosed
EP-3212625-A1 DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY Karus Therapeutics Ltd (GB) 2017-09-06 EP disclosed
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-08 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 WO disclosed
US-4956366-A GASTROINTESTINAL DISORDERS, ANTISECRETORY AGENTS FOR GASTRIC ACID SECRETION HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
US-4820708-A ANTISECRETORY AGENTS; GASTROINTESTINAL DISORDERS SMITH KLINE & FRENCH LABORATORIES (GB) 1989-04-11 US disclosed
EP-0299389-A2 Substituted thieno-imidazole derivatives, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors, gastric protecting agents and as medicaments against intestinal inflammation HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-18 EP disclosed
US-4777172-A ANTIGASTRIC ACID SECRETORY AGENT SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-10-11 US disclosed
CN-86102398-A The preparation method of substituted benzimidazole derivative 1986-11-12 CN disclosed
EP-0198583-A1 Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-10-22 EP 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 (9 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 S1PR4 1378/4885NOTUM 2506/4885KMO 234/4885
US-20170313712-A1 DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY HDAC1, HDAC11, HDAC7 S1PR4 3946/4885NOTUM 2632/4885KMO 1677/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 S1PR4 1437/4885NOTUM 2611/4885KMO 232/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK S1PR4 2201/4885NOTUM 4202/4885KMO 2352/4885
US-10407435-B2 Diheteroaryl histone deacetylase inhibitors and their use in therapy HDAC1, HDAC11, HDAC7 S1PR4 3946/4885NOTUM 2632/4885KMO 1677/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK S1PR4 2201/4885NOTUM 4202/4885KMO 2352/4885
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 S1PR4 1378/4885NOTUM 2506/4885KMO 234/4885
US-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 S1PR4 1668/4885NOTUM 4556/4885KMO 1685/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 S1PR4 1668/4885NOTUM 4556/4885KMO 1685/4885

“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.