SCHEMBL23978475

SCHEMBL23978475

CC(C)c1ncc2c(Cl)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ACACB O00763 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
PNMT P11086 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL24805397 0.88 MAPT (0.43) MAPTNPC1PKMRAB9AKMT2A
SCHEMBL19154658 0.81 LMNA (0.36) MAPTKMT2AACACBL3MBTL1CYP1A2
SCHEMBL26438880 0.81 CYP1A2 (0.37) MAPTNPC1RAB9AKMT2AACACB
SCHEMBL8284885 0.77 KMT2A (0.50) MAPTNPC1PKMRAB9AKMT2A
SCHEMBL30878071 0.76 MAPT (0.46) MAPTNPC1PKMRAB9AKMT2A
SCHEMBL7699099 0.76 MAPT (0.46) MAPTNPC1PKMRAB9AKMT2A
SCHEMBL22672620 0.76 HTT (0.41) NPC1PKMRAB9ASMN1; SMN2TSHR
SCHEMBL22672522 0.76 PDE7A (0.44) MAPTNPC1RAB9AKMT2AACACB
SCHEMBL13058521 0.74 NR4A2 (0.36) CYP1A2CYP2A6CYP3A4CYP2D6NFKB1
SCHEMBL24768800 0.74 LMNA (0.57) MAPTNPC1RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION THE BOARDS OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2023-04-27 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 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 (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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 MAPT 4656/4885NPC1 2492/4885PKM 4776/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 MAPT 4656/4885NPC1 2492/4885PKM 4776/4885
US-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION CDC37, SI, DAD1 MAPT 863/4885NPC1 727/4885PKM 3681/4885

“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.