SCHEMBL427033

SCHEMBL427033

COc1ccc(-c2ncn(C(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.54
AKR1C3 P42330 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DGAT1 O75907 1/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 8/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL7903565 0.88 AKR1C3 (0.48) MAPK1AKR1C3SMN1; SMN2MEN1KMT2A
SCHEMBL425575 0.82 BCHE (0.56) AKR1C3SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL425498 0.77 FAAH (0.58) MAPK1AKR1C3HPGDMEN1KMT2A
SCHEMBL425711 0.76 AKR1C3 (0.49) AKR1C3GAAMAPTCYP2C9CYP2C19
SCHEMBL426884 0.75 PARP10 (0.56) AKR1C3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL27976453 0.74 AKR1C3 (0.85) MAPK1L3MBTL1AKR1C3SMN1; SMN2KMT2A
SCHEMBL426876 0.73 POLB (0.44) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL7890316 0.73 AKR1C3 (0.45) AKR1C3SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL427521 0.73 ACHE (0.47) MAPK1KMT2AMAPT
SCHEMBL460531 0.71 ALDH1A1 (0.46) MAPK1L3MBTL1SMN1; SMN2MEN1KMT2A

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 4 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

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 MAPK1 3471/4885L3MBTL1 4550/4885AKR1C3 433/4885

“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.