SCHEMBL23920726

SCHEMBL23920726

CCCCCCCC(CC)N1CCN(CC)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FDPS P14324 3/20 0.33
LMNA P02545 1/20 0.32
DNM1 Q05193 1/20 0.31
GUSB P08236 2/20 0.31
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL23920920 0.98 MEN1 (0.35) NPC1RAB9AGNAI3GNAO1GNAI1
SCHEMBL19286076 0.92 NPC1 (0.38) NPC1RAB9AGNAI3GNAO1GNAI1
SCHEMBL9419611 0.90 FDPS (0.39) FDPSLMNADNM1
SCHEMBL11644117 0.90 FDPS (0.39) FDPSLMNADNM1
SCHEMBL11643350 0.90 FDPS (0.39) FDPSLMNADNM1
SCHEMBL22571312 0.89 NPC1 (0.36) NPC1RAB9AGNAI3GNAO1GNAI1
SCHEMBL23921031 0.84 ALDH1A1 (0.33) MEN1KMT2A
SCHEMBL17327899 0.84 MEN1 (0.40) NPC1RAB9AGNAI3GNAO1GNAI1
SCHEMBL26137743 0.83 MC4R (0.39) NPC1RAB9AGNAI3GNAO1GNAI1
SCHEMBL4275008 0.82 FDPS (0.36) FDPSLMNADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 US disclosed
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2021-10-14 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-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 NPC1 1643/4885RAB9A 1781/4885GNAI3 1151/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 NPC1 1643/4885RAB9A 1781/4885GNAI3 1151/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 NPC1 1643/4885RAB9A 1781/4885GNAI3 1151/4885

“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.