SCHEMBL22014244

SCHEMBL22014244

COCc1cnc(N(c2ccccc2)c2ccccc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 3/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
GRM5 P41594 2/20 0.35
NPC1 O15118 1/20 0.34
JAK2 O60674 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
SCHEMBL28874019 0.77 TSHR (0.46) MAPTALDH1A1TDP1TSHRTP53
SCHEMBL16675141 0.77 HDAC6 (0.44) HDAC6HDAC1MAPTALDH1A1TDP1
SCHEMBL279615 0.76 ALDH1A1 (0.45) MAPTALDH1A1TDP1TSHRTP53
SCHEMBL279614 0.76 ALDH1A1 (0.45) MAPTALDH1A1TDP1TSHRTP53
SCHEMBL18294910 0.74 ALDH1A1 (0.45) HDAC6HDAC1MAPTALDH1A1TDP1
SCHEMBL10330363 0.71 IDO1 (0.46) MAPTALDH1A1TDP1FAAHMGLL
SCHEMBL13681219 0.71 TSHR (0.40) MAPTALDH1A1TDP1TSHRTP53
SCHEMBL19675175 0.71 TSHR (0.40) MAPTALDH1A1TDP1TSHRTP53
SCHEMBL10973834 0.70 KDR (0.45) ALDH1A1TDP1NPC1RAB9APDGFRB
SCHEMBL4582422 0.70 TDP1 (0.54) HDAC6HDAC1MAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660890-B2 Treatment of polycystic diseases with an HDAC6 inhibitor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT NIH DIVISION OF EXTRAMURAL INVENTIONS AND TECHNOLOGY RESOURCES (DEITR) (US) 2020-05-26 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 (1 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-10660890-B2 Treatment of polycystic diseases with an HDAC6 inhibitor HDAC6, PKD1, PKD2 HDAC6 1/4885HDAC1 4/4885MAPT 991/4885

“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.