SCHEMBL19223903

SCHEMBL19223903

CCCCCCC(C)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NAAA Q02083 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL21416476 1.00 MAPT (0.44) MAPTALDH1A1POLBNAAAGPR84
SCHEMBL28143791 1.00 MAPT (0.44) MAPTALDH1A1POLBNAAAGPR84
SCHEMBL24919973 1.00 MAPT (0.44) MAPTALDH1A1POLBNAAAGPR84
SCHEMBL27485167 1.00 MAPT (0.44) MAPTALDH1A1POLBNAAAGPR84
Hydrochloric Acid SCHEMBL572560 0.98 ALDH1A1 (0.42) MAPTALDH1A1POLBNAAAGPR84
Hydrochloric Acid SCHEMBL16774421 0.98 ALDH1A1 (0.42) MAPTALDH1A1POLBNAAAGPR84
Fluoride SCHEMBL29252743 0.98 MAPT (0.42) MAPTALDH1A1POLBNAAAGPR84
Hydrochloric Acid SCHEMBL29252918 0.98 ALDH1A1 (0.42) MAPTALDH1A1POLBNAAAGPR84
Hydrochloric Acid SCHEMBL27371328 0.98 ALDH1A1 (0.42) MAPTALDH1A1POLBNAAAGPR84
SCHEMBL9663065 0.98 MAPT (0.45) MAPTALDH1A1POLBNAAAGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 — — US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — US disclosed
US-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2021-11-18 — — US disclosed
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-10-27 — — US disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 — — US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 — — 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 (5 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG MAPT 4477/4885ALDH1A1 1455/4885POLB 794/4885
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus SIRT1, SIRT2, SIRT7 MAPT 2621/4885ALDH1A1 2630/4885POLB 1140/4885
US-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARN MAPT 3988/4885ALDH1A1 2378/4885POLB 724/4885
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAPT 3027/4885ALDH1A1 4654/4885POLB 430/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV MAPT 3244/4885ALDH1A1 1629/4885POLB 2868/4885

“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.

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