SCHEMBL21917569

SCHEMBL21917569

CC(C)Oc1cccc2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 10/20 0.50
KCNA3 P22001 1/20 0.50
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
MCHR1 Q99705 1/20 0.45
HTT P42858 1/20 0.45
NSD2 O96028 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR3C1 P04150 2/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 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
SCHEMBL6308046 0.81 F9 (0.47) CACNA2D1KCNA3LMNAKDM4EMAPKAPK2
SCHEMBL5792721 0.81 KMT2A (0.48) CACNA2D1KCNA3KDM4EMAPKAPK2NR3C1
SCHEMBL5792709 0.81 KMT2A (0.48) CACNA2D1KCNA3KDM4EMAPKAPK2NR3C1
SCHEMBL96459 0.80 MAPT (0.58) CACNA2D1KCNA3LMNAKDM4ECYP1A2
SCHEMBL5792713 0.79 CACNA2D1 (0.43) CACNA2D1KCNA3LMNAKDM4EMAPKAPK2
SCHEMBL11139798 0.79 CYP1A2 (0.46) KCNA3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4517253 0.78 KCNA3 (0.56) CACNA2D1KCNA3LMNAKDM4ECYP1A2
SCHEMBL4982131 0.77 CYP1A2 (0.56) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL96458 0.77 KCNA3 (0.54) CACNA2D1KCNA3LMNAKDM4ECYP1A2
SCHEMBL27535690 0.76 KCNA3 (0.55) CACNA2D1KCNA3LMNAKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 US disclosed
WO-2020132045-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS DISARM THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
WO-2020081923-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. (US) 2020-04-23 WO 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-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 CACNA2D1 4322/4885KCNA3 4476/4885LMNA 1261/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP CACNA2D1 4509/4885KCNA3 4487/4885LMNA 1527/4885

“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.