SCHEMBL424568

SCHEMBL424568

O=C(N1CCN(c2ccc(F)cc2)CC1)n1cnc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
AKR1C3 P42330 6/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SLC6A7 Q99884 1/20 0.44

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
SCHEMBL425475 0.79 TACR3 (0.53) KMT2AMEN1AKR1C3LMNAALDH1A1
SCHEMBL426988 0.73 SLC6A7 (0.50) KMT2AMEN1AKR1C3LMNAALDH1A1
SCHEMBL27607283 0.72 AKR1C3 (0.83) HSP90AA1KMT2AMEN1AKR1C3LMNA
SCHEMBL17460176 0.72 MGLL (0.53) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL426706 0.71 GPBAR1 (0.46) KMT2AMEN1LMNAALDH1A1TP53
SCHEMBL27748524 0.70 MAP4K4 (0.63) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL9376980 0.70 ROCK1 (0.68) HSP90AA1KMT2AMEN1LMNAMAPT
SCHEMBL424563 0.69 NPC1 (0.48) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL11287247 0.69 MAP4K4 (0.50) LMNAALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL5466673 0.69 AKR1C3 (0.73) HSP90AA1KMT2AMEN1AKR1C3LMNA

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
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 HSP90AA1 1590/4885KMT2A 2067/4885MEN1 2893/4885

“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.