SCHEMBL22887482

SCHEMBL22887482

COC(=O)c1cccc(/C=C/c2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
CYP1A1 P04798 9/20 0.57
CYP1A2 P05177 9/20 0.57
CYP1B1 Q16678 9/20 0.57
P4HB P07237 3/20 0.54
CYP3A4 P08684 4/20 0.54
CYP2D6 P10635 4/20 0.54
LMNA P02545 1/20 0.53
USP2 O75604 1/20 0.52
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
JUN P05412 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50

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
SCHEMBL29496403 1.00 ALDH1A1 (0.62) ALDH1A1CYP1A1CYP1A2CYP1B1P4HB
SCHEMBL11222093 0.86 P4HB (0.68) ALDH1A1CYP1A2P4HBCYP3A4LMNA
SCHEMBL4407110 0.86 P4HB (0.68) ALDH1A1CYP1A2P4HBCYP3A4LMNA
SCHEMBL8996130 0.85 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL22887222 0.85 P4HB (0.57) ALDH1A1CYP1A1CYP1A2CYP1B1P4HB
SCHEMBL8996089 0.85 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL22887220 0.85 P4HB (0.57) ALDH1A1CYP1A1CYP1A2CYP1B1P4HB
SCHEMBL8996085 0.85 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL5922410 0.84 CHEK1 (0.49) ALDH1A1CYP1A1CYP1A2CYP1B1P4HB
SCHEMBL5922414 0.84 CHEK1 (0.49) ALDH1A1CYP1A1CYP1A2CYP1B1P4HB

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-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE THE TRUSTEES OF INDIANA UNIVERSITY 2021-01-14 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-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT ALDH1A1 336/4885CYP1A1 1071/4885CYP1A2 1125/4885
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT ALDH1A1 336/4885CYP1A1 1071/4885CYP1A2 1125/4885

“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.