SCHEMBL12845563

SCHEMBL12845563

CC(=O)Nc1cc(N=O)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 7/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL10494647 0.81 MAPT (0.59) HDAC1HDAC6ALDH1A1MAPTRAB9A
SCHEMBL10034515 0.80 LMNA (0.56) HDAC1HDAC6CA1CA2CA9
SCHEMBL7964816 0.79 HDAC1 (0.55) HDAC1HDAC6ALDH1A1MAPTRAB9A
SCHEMBL25736549 0.79 CYP17A1 (0.45) ALDH1A1MAPTRAB9ANPC1POLB
SCHEMBL14259864 0.79 ALDH1A1 (0.40) ALDH1A1MAPTRAB9ANPC1LMNA
SCHEMBL30748254 0.78 SMN1; SMN2 (0.55) HDAC1HDAC6CA1CA2CA9
SCHEMBL8955980 0.78 SMN1; SMN2 (0.55) HDAC1HDAC6CA1CA2CA9
SCHEMBL2610988 0.77 MAPT (0.62) HDAC1HDAC6CA1CA2CA9
SCHEMBL13414534 0.77 ALDH1A1 (0.53) HDAC1HDAC6CA1CA2CA9
SCHEMBL6779344 0.77 HDAC1 (0.47) HDAC1HDAC6CA1CA2CA9

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-10662193-B2 Carbazole and carboline compounds for use in the diagnosis, treatment, alleviation or prevention of disorders associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2020-05-26 — — US disclosed
WO-2013144532-A1 3 -CYANO- 5 -ARYLAMINO-7 -CYCLOALKYLAMINOPYRROLO [1, 5 -A] PYRIMIDINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2013-10-03 — — WO disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — 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-10662193-B2 Carbazole and carboline compounds for use in the diagnosis, treatment, alleviation or prevention of disorders associated with amyloid or amyloid-like proteins APP, BACE1, PSEN1 HDAC1 1656/4885HDAC6 979/4885CA1 397/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 HDAC1 741/4885HDAC6 649/4885CA1 2384/4885

“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