SCHEMBL22887488

SCHEMBL22887488

Cc1cc(O)ccc1NC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
GFER P55789 1/20 0.61
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
RAB9A P51151 2/20 0.58
LMNA P02545 1/20 0.58
ABL1 P00519 1/20 0.57
TSHR P16473 1/20 0.57
RIN1 Q13671 1/20 0.57
PKM P14618 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.54
AKR1C4 P17516 3/20 0.53
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 3/20 0.53
AKR1C1 Q04828 3/20 0.53

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
SCHEMBL7890737 0.88 MAPT (0.69) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL30739671 0.88 MAPT (0.69) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL14426490 0.80 HDAC1 (0.70) ALDH1A1MEN1KMT2AGFERMAPT
SCHEMBL22887353 0.79 CDC25B (0.58) AKR1C4AKR1C3AKR1C2AKR1C1CA12
SCHEMBL7881117 0.79 DEGS1 (0.63) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL11133928 0.79 ESR1 (0.51) ALDH1A1MEN1KMT2AGFERMAPT
SCHEMBL7888080 0.78 MAPT (0.72) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL15652630 0.78 UNG (0.60) ALDH1A1MEN1KMT2AGFERMAPT
SCHEMBL12431978 0.78 MEN1 (0.59) ALDH1A1MEN1KMT2AGFERMAPT
SCHEMBL4830911 0.77 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTTDP1

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 3 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-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE UNIV INDIANA TRUSTEES (US) 2022-05-12 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 (3 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 336/4885MEN1 2027/4885KMT2A 1644/4885
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT ALDH1A1 336/4885MEN1 2027/4885KMT2A 1644/4885
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT ALDH1A1 336/4885MEN1 2027/4885KMT2A 1644/4885

“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.