SCHEMBL22358065

SCHEMBL22358065

Cc1c2ccc(C(C)C)cc2nn1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ MPO P05164 4/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ SRC P12931 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SCN4A P35499 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32

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
SCHEMBL20116571 0.82 MPO (0.38) LMNAMPOSRCALDH1A1NPC1
SCHEMBL22357763 0.81 LMNA (0.37) LMNATRPA1PTGS1CACNA1CABL1
SCHEMBL16596064 0.79 RET (0.36) LMNAMPOSMN1; SMN2RETCDK5
SCHEMBL22357765 0.77 ADORA2A (0.35) LMNATRPA1PTGS1CACNA1CKIF11
SCHEMBL17616025 0.74 MPO (0.61) LMNAMPOALDH1A1MAPTPOLB
SCHEMBL22156297 0.72 GRM4 (0.43) LMNATRPA1PTGS1CACNA1CABL1
SCHEMBL16595487 0.69 HTT (0.41) LMNAMPOALDH1A1MEN1KMT2A
SCHEMBL26137621 0.69 KIF11 (0.34) LMNATRPA1PTGS1CACNA1CABL1
SCHEMBL26729929 0.69 ALDH1A1 (0.62) LMNAABL1KIF11ALDH1A1NPC1
SCHEMBL2706170 0.69 KIF11 (0.42) LMNATRPA1PTGS1CACNA1CABL1

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 LMNA 1966/4885MPO 212/4885TRPA1 469/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 LMNA 1966/4885MPO 212/4885TRPA1 469/4885

“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.

Send feedback