SCHEMBL5545979

SCHEMBL5545979

O=C(O)CNc1ccccc1N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MAPT P10636 4/20 0.65
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 5/20 0.57
GAA P10253 3/20 0.57
KCNQ2 O43526 3/20 0.57
PKM P14618 1/20 0.57
NPSR1 Q6W5P4 7/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 4/20 0.54
ATM Q13315 3/20 0.54
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
Hydrochloric Acid SCHEMBL7895987 0.85 MAPT (0.63) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7896677 0.82 MAPT (0.62) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7898969 0.81 MAPT (0.58) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL7896507 0.80 MAPT (0.64) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7888531 0.80 MAPT (0.57) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL29957640 0.80 KMT2A (0.72) ALDH1A1MAPTPOLBKMT2AGAA
SCHEMBL29955086 0.78 KCNQ2 (0.74) POLBKMT2AGAAKCNQ2PKM
SCHEMBL29957211 0.78 KMT2A (0.68) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL1479354 0.78 ADRA1A (0.58) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL16783142 0.77 MAPT (0.63) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A

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-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 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-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 ALDH1A1 2861/4885MAPT 3473/4885POLB 4298/4885

“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.