SCHEMBL4122994

SCHEMBL4122994

Sc1csc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
KMT2A Q03164 2/20 0.53
AR P10275 1/20 0.53
SREBF2 Q12772 1/20 0.50
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CYP19A1 P11511 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL28526051 0.98 KDM4E (0.52) KDM4EKMT2AARSREBF2RAB9A
SCHEMBL2781370 0.76 KDM4E (0.85) KDM4EKMT2AARSREBF2RAB9A
SCHEMBL11212983 0.74 SREBF2 (0.82) KDM4EKMT2AARSREBF2RAB9A
SCHEMBL11213828 0.74 SREBF2 (0.82) KDM4EKMT2AARSREBF2RAB9A
SCHEMBL95516 0.74 KDM4E (0.53) KDM4EKMT2AARSREBF2RAB9A
SCHEMBL242692 0.74 RAB9A (0.58) KDM4EKMT2AARSREBF2RAB9A
SCHEMBL1460934 0.74 KDM4E (0.53) KDM4EKMT2AARSREBF2RAB9A
SCHEMBL87128 0.74 CYP3A4 (0.65) KDM4EKMT2AARSREBF2RAB9A
SCHEMBL10475799 0.74 KDM4E (0.53) KDM4EKMT2AARSREBF2RAB9A
SCHEMBL27820489 0.74 KDM4E (0.53) KDM4EKMT2AARSREBF2RAB9A

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-112294975-A Contact allergen reagent combination and application thereof 上海市皮肤病医院 2021-02-02 CN claimed
CN-112294975-A Contact allergen reagent combination and application thereof 上海市皮肤病医院 2021-02-02 CN disclosed
CN-105078773-A Biodegradable compositions comprising renewably-based, biodegradable 1,3-propanediol DUPONT TATE & LYLE BIO PRODUCTS COMPANY LLC 2015-11-25 CN disclosed
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
CN-101218201-A Benzoic acid derivatives as GlyR modulators or agonists ASTRAZENECA AB (SE) 2008-07-09 CN disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO disclosed
US-4242495-A COATINGS, MOLDINGS, FOAMS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-12-30 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 KDM4E 3259/4885KMT2A 2465/4885AR 403/4885

“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.