SCHEMBL17705666

SCHEMBL17705666

COc1ccc(OC)c(NN)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
GAA P10253 5/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 4/20 0.58
LMNA P02545 2/20 0.58
USP2 O75604 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 4/20 0.53
THRB P10828 1/20 0.53
TP53 P04637 1/20 0.53
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.48
POLB P06746 2/20 0.47

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
Bromide SCHEMBL20984992 0.98 KMT2A (0.56) KMT2AGAAMAPTMEN1LMNA
Hydrochloric Acid SCHEMBL20984230 0.98 KMT2A (0.57) KMT2AGAAMAPTMEN1LMNA
Sulfuric Acid SCHEMBL20984898 0.89 GAA (0.53) KMT2AGAAMAPTMEN1LMNA
Oxalic Acid SCHEMBL20984400 0.89 GAA (0.56) KMT2AGAAMAPTMEN1ALDH1A1
Phosphoric Acid SCHEMBL20984636 0.89 GAA (0.56) KMT2AGAAMAPTMEN1LMNA
Nitric Acid SCHEMBL20984863 0.87 KMT2A (0.51) KMT2AGAAMAPTMEN1LMNA
SCHEMBL10608641 0.83 ALDH1A1 (0.59) KMT2AGAAMAPTMEN1LMNA
Hydrochloric Acid SCHEMBL25414844 0.82 ALDH1A1 (0.58) KMT2AGAAMAPTMEN1LMNA
Bromide SCHEMBL20984609 0.82 ALDH1A1 (0.58) KMT2AGAAMAPTMEN1LMNA
Hydrochloric Acid SCHEMBL20984855 0.82 ALDH1A1 (0.58) KMT2AGAAMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107236106-A The aromatic series terminal hydroxy group chain extender of the key containing acylhydrazone, selfreparing polyurethane and preparation method thereof 青岛科技大学 2017-10-10 CN claimed
CN-107236106-B Aromatic hydroxyl-terminated chain extender containing acylhydrazone bond, self-repairing polyurethane and preparation method of chain extender 青岛科技大学 2020-01-07 CN disclosed
CN-107236106-A The aromatic series terminal hydroxy group chain extender of the key containing acylhydrazone, selfreparing polyurethane and preparation method thereof 青岛科技大学 2017-10-10 CN disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
US-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-04-28 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-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF ABCB4, PHOSPHO1, SGMS2 KMT2A 267/4885GAA 3184/4885MAPT 3385/4885

“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.