SCHEMBL16188992

SCHEMBL16188992

CNCc1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DDAH1 O94760 1/20 0.38
LMNA P02545 2/20 0.36

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
SCHEMBL21486288 0.82 PKM (0.61) PKMRAB9AKMT2ANPC1MAPT
SCHEMBL12350646 0.81 DDAH1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7366882 0.81 PKM (0.59) PKMRAB9AALDH1A1GAAHTT
SCHEMBL24376403 0.81 PKM (0.59) PKMRAB9AKMT2ANPC1MAPT
SCHEMBL23497870 0.79 SMN1; SMN2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28877884 0.78 MAOA (0.42) RAB9AKMT2ANPC1MAPTALDH1A1
SCHEMBL29967151 0.78 MAOA (0.42) RAB9AKMT2ANPC1MAPTALDH1A1
SCHEMBL1976712 0.78 TDP1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13628993 0.78 RAB9A (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31570020 0.78 TDP1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-2987793-B1 HETEROCYCLIC ACETIC ACID AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-9708307-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2017-07-18 US disclosed
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-02-12 US disclosed
US-8937087-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2015-01-20 US disclosed
US-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-23 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-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD1, DRD2, OPRD1 PKM 2819/4885HDAC3 443/4885HDAC4 584/4885
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD2, DRD1, OPRD1 PKM 2958/4885HDAC3 482/4885HDAC4 626/4885

“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.