SCHEMBL2820799

SCHEMBL2820799

Fc1ccccc1-n1c[c]nn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
ADORA1 P30542 1/20 0.38
MGLL Q99685 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KCNN4 O15554 5/20 0.34
GRM4 Q14833 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL2818806 0.77 KCNMA1 (0.43) ADORA1RAB9ATDP1ALDH1A1HPGD
SCHEMBL8513179 0.77 MGLL (0.37) MGLLRAB9AALDH1A1PTGS1PTGS2
SCHEMBL1899917 0.73 DRD4 (0.33) ALDH1A1GRM4
SCHEMBL2902914 0.71 NOTUM (0.41) NOTUMADORA1MGLLMEN1KMT2A
SCHEMBL1891782 0.69 NOTUM (0.40) NOTUMADORA1MGLLMEN1KMT2A
SCHEMBL15657033 0.68 NOTUM (0.47) NOTUMMGLLKMT2ATDP1ALDH1A1
SCHEMBL2688702 0.68 NOTUM (0.58) NOTUMADORA1KCNN4ADORA3PTGS1
SCHEMBL1906385 0.67 ADORA1 (0.42) NOTUMADORA1MGLLMEN1KMT2A
SCHEMBL29793813 0.67 NOTUM (0.50) NOTUMADORA1MGLLMEN1KMT2A
SCHEMBL20605667 0.67 NOTUM (0.50) NOTUMADORA1MGLLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110300589-B Bicyclic heteroaryl derivatives as CFTR potentiators 囊性纤维化基金会 2023-03-10 CN disclosed
CN-114773314-A Biarylaminoguanidine derivative 上海拓界生物医药科技有限公司 2022-07-22 CN disclosed
CN-110337294-A Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会治疗公司 2019-10-15 CN disclosed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 US disclosed
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 WO disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
CN-101541331-A Novel macrolides and ketolides with antimicrobial activity WOCKHARDT RESEARCH CENTER (IN) 2009-09-23 CN 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 NOTUM 99/4885ADORA1 4483/4885MGLL 155/4885
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY CA7, CA4, CA2 NOTUM 1354/4885ADORA1 2604/4885MGLL 4451/4885

“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.