SCHEMBL23978398

SCHEMBL23978398

O=C(NNC(=O)c1ccccc1C(=O)O)c1ccccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
CA1 P00915 4/20 0.65
CA9 Q16790 4/20 0.65
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HPGD P15428 2/20 0.65
CA12 O43570 1/20 0.65
CA2 P00918 1/20 0.65
HMGB1 P09429 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
NAPRT Q6XQN6 1/20 0.65
CA14 Q9ULX7 1/20 0.65
L1CAM P32004 1/20 0.61
MAPT P10636 1/20 0.61
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
HTT P42858 2/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL77381 0.89 CA1 (0.77) KDM4ECA1CA9ALDH1A1SMN1; SMN2
SCHEMBL11700974 0.89 ALDH1A1 (0.71) ALDH1A1HPGDMAPTCYP2C9GAA
SCHEMBL6638020 0.84 NPC1 (0.74) KDM4ECA1CA9ALDH1A1SMN1; SMN2
SCHEMBL29404721 0.83 KMT2A (0.66) ALDH1A1HPGDMAPTCYP2C9GAA
SCHEMBL11413347 0.83 ALDH1A1 (0.65) ALDH1A1HPGDMAPTCYP2C9GAA
Phthalic Acid SCHEMBL1162068 0.83 ALDH1A1 (0.95) KDM4ECA1CA9ALDH1A1SMN1; SMN2
SCHEMBL6638968 0.82 KDM4E (0.67) KDM4ECA1CA9ALDH1A1SMN1; SMN2
SCHEMBL11813318 0.82 ALDH1A1 (0.79) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL6636585 0.82 CA1 (0.79) KDM4ECA1CA9ALDH1A1SMN1; SMN2
SCHEMBL11405554 0.81 LMNA (0.76) KDM4ECA1CA9ALDH1A1SMN1; SMN2

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
WO-2021225982-A1 SOS1 ALLOSTERIC SITE TARGETING CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-11-11 WO disclosed
US-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING UNIVERSITY OF CINCINNATI 2021-11-04 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-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING SOS1, SOS2, SOST KDM4E 4376/4885CA1 4567/4885CA9 4373/4885

“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.