SCHEMBL3612481

SCHEMBL3612481

O=C(N[C@H]1CCNC1)c1cc2c(OC(F)F)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
PARP1 P09874 2/20 0.43
KDR P35968 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RCE1 Q9Y256 1/20 0.41
KLKB1 P03952 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
MLLT1 Q03111 1/20 0.39
TOP2A P11388 2/20 0.39
FLT3 P36888 1/20 0.38
RB1 P06400 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL3607381 1.00 HDAC3 (0.47) HDAC3HDAC1PARP1KDRKMT2A
SCHEMBL3607376 1.00 HDAC3 (0.47) HDAC3HDAC1PARP1KDRKMT2A
Trifluoroacetic Acid SCHEMBL3615445 0.94 HDAC3 (0.44) HDAC3HDAC1PARP1KDRKMT2A
SCHEMBL3596479 0.94 HDAC3 (0.46) HDAC3HDAC1PARP1KMT2AMLLT1
SCHEMBL3596476 0.94 HDAC3 (0.46) HDAC3HDAC1PARP1KMT2AMLLT1
SCHEMBL3613812 0.86 RAB9A (0.54) HDAC3HDAC1PARP1KMT2AMEN1
SCHEMBL3613815 0.86 RAB9A (0.54) HDAC3HDAC1PARP1KMT2AMEN1
SCHEMBL3605258 0.82 PARP1 (0.47) PARP1KDRKLKB1SMYD3MLLT1
SCHEMBL3615341 0.82 PARP1 (0.47) PARP1KDRKLKB1SMYD3MLLT1
SCHEMBL3605261 0.82 PARP1 (0.47) PARP1KDRKLKB1SMYD3MLLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT HDAC3 60/4885HDAC1 70/4885PARP1 156/4885

“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.