SCHEMBL5311162

SCHEMBL5311162

CCc1nc(-c2ccc(N)cc2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.59
ACACA Q13085 2/20 0.59
NOTUM Q6P988 3/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.49
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SPHK2 Q9NRA0 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
IDO1 P14902 1/20 0.46
CYP2C19 P33261 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
SCHEMBL10914161 0.86 RAB9A (0.69) ACACBACACANOTUMNPC1RAB9A
SCHEMBL10053485 0.84 SMN1; SMN2 (0.63) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL12525780 0.84 MAPT (0.61) ACACBACACANOTUMNPC1RAB9A
SCHEMBL17978547 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HTTTDP1
SCHEMBL23291906 0.83 NOTUM (0.57) ACACBACACANOTUMNPC1RAB9A
SCHEMBL10022385 0.83 ACACB (0.56) ACACBACACANOTUMNPC1RAB9A
SCHEMBL15379098 0.83 RAB9A (0.54) ACACBACACANOTUMNPC1RAB9A
SCHEMBL14339592 0.82 NOTUM (0.64) ACACBACACANOTUMNPC1RAB9A
SCHEMBL201423 0.82 NOTUM (0.56) NOTUMNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8592557 0.82 ACACB (0.59) ACACBACACANOTUMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
WO-2003016293-A1 OXADIAZOLYL AND THIADIAZOLYL BENZOYL UREAS AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-02-27 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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 ACACB 3071/4885ACACA 2094/4885NOTUM 3182/4885

“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.