SCHEMBL22314943

SCHEMBL22314943

O=c1[nH]c2cc(-c3ccc(OC(F)(F)F)cc3)cnc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
SCN10A Q9Y5Y9 5/20 0.40
SCN5A Q14524 3/20 0.40
KCNH2 Q12809 2/20 0.40
SCN1A P35498 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
PIP4K2A P48426 1/20 0.39
PPARD Q03181 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL20472263 0.80 PDE3B (0.58) NOTUMCA12CA9SCN5AGRIA1
Hydrochloric Acid SCHEMBL30184769 0.78 PDE3B (0.57) NOTUMCA12CA9SCN5AGRIA1
SCHEMBL22314945 0.77 NOTUM (0.47) NOTUMCA12CA9SCN10ASCN5A
SCHEMBL14480540 0.75 MAOA (0.49) NOTUMCA12CA9SCN5AGRIA1
SCHEMBL22314906 0.74 CA12 (0.46) NOTUMCA12CA9SCN10ASCN5A
SCHEMBL2949027 0.70 NOS1 (0.51) NOTUMGRIA1CACNG8PDE3BPDE3A
SCHEMBL22314549 0.69 CA12 (0.44) NOTUMCA12CA9SCN5ASCN9A
SCHEMBL22314476 0.69 CA12 (0.44) NOTUMCA12CA9SCN5ASCN9A
SCHEMBL22314897 0.69 CA12 (0.44) NOTUMCA12CA9SCN10ASCN5A
SCHEMBL4059384 0.68 AURKA (0.55) CDK2KCNH2NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-08-06 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 (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-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B NOTUM 1669/4885CA12 1391/4885CA9 1572/4885
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B NOTUM 1669/4885CA12 1391/4885CA9 1572/4885

“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.