SCHEMBL2750237

SCHEMBL2750237

Oc1ccccc1Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.58
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
KEAP1 Q14145 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.42
LIN28A Q9H9Z2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28940718 0.91 HSPA5 (0.48) HSPA5ALDH1A1HPGDKEAP1L3MBTL1
SCHEMBL27808570 0.87 ALDH1A1 (0.44) HSPA5ALDH1A1HPGDL3MBTL1HRH3
SCHEMBL28343693 0.85 L3MBTL1 (0.53) ALDH1A1L3MBTL1HRH3HRH1HRH4
SCHEMBL9130083 0.82 HRH1 (0.52) HSPA5ALDH1A1HPGDHRH3HRH1
SCHEMBL30576433 0.82 ALOX5 (0.56) ALDH1A1L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL1846872 0.82 ALOX5 (0.56) ALDH1A1L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL8546939 0.82 MAPT (0.47) HSPA5ALDH1A1HPGDL3MBTL1HRH3
SCHEMBL8753243 0.79 HSPA5 (0.52) HSPA5ALDH1A1HPGDKEAP1HRH1
SCHEMBL8797884 0.79 HRH1 (0.51) HSPA5ALDH1A1HPGDHRH3HRH1
SCHEMBL8745956 0.79 HSPA5 (0.62) HSPA5ALDH1A1HPGDKEAP1L3MBTL1

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-114890941-A Manganese-based chelate conjugates for MR molecular imaging 通用医疗公司 2022-08-12 CN disclosed
CN-114805196-A Manganese-based chelate conjugates for MR molecular imaging 通用医疗公司 2022-07-29 CN disclosed
US-20220168243-A1 CORONAVIRUS TREATMENT COMPOSITIONS AND METHODS UNIV NEW YORK STATE RES FOUND (US) 2022-06-02 US disclosed
CN-108136053-B Manganese-based chelate conjugates for MR molecular imaging 通用医疗公司 2022-05-27 CN disclosed
US-8586755-B2 Substituted nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2013-11-19 US disclosed
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-07-19 US disclosed
US-8178684-B2 Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 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 (3 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-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 HSPA5 3501/4885ALDH1A1 2196/4885HPGD 651/4885
US-20220168243-A1 CORONAVIRUS TREATMENT COMPOSITIONS AND METHODS ACE, SARS1, ACE2 HSPA5 4345/4885ALDH1A1 4521/4885HPGD 3801/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 HSPA5 3237/4885ALDH1A1 3206/4885HPGD 508/4885

“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.