SCHEMBL19862412

SCHEMBL19862412

CC(O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
VCAM1 P19320 1/20 0.47
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL24346154 0.86 HSD17B10 (0.56) HSD17B10KMT2AMEN1VCAM1LMNA
SCHEMBL29745663 0.86 HSD17B10 (0.56) HSD17B10KMT2AMEN1VCAM1LMNA
SCHEMBL17125223 0.86 HSD17B10 (0.60) HSD17B10KMT2AMEN1VCAM1LMNA
SCHEMBL3472278 0.83 HSD17B10 (0.49) HSD17B10KMT2AMEN1VCAM1LMNA
SCHEMBL16954413 0.83 HSD17B10 (0.56) HSD17B10KMT2AMEN1VCAM1LMNA
SCHEMBL5804176 0.82 HSD17B10 (0.51) HSD17B10KMT2AMEN1VCAM1LMNA
SCHEMBL6244176 0.81 ALDH1A1 (0.55) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL7465528 0.81 ALDH1A1 (0.55) LMNAALDH1A1GAAMAPTPOLB
SCHEMBL11317580 0.81 ALDH1A1 (0.58) HSD17B10KMT2AMEN1LMNAALDH1A1
SCHEMBL22866211 0.79 ALDH1A1 (0.44) LMNAALDH1A1GAAMAPTKDM4E

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
CN-111440077-B Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in antiallergic hair dye 上海舒尔发化妆品科技有限公司 2022-07-22 CN disclosed
CN-111440077-A Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in anti-allergic hair dye 上海舒尔发化妆品科技有限公司 2020-07-24 CN disclosed
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 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-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, RHOA HSD17B10 3081/4885KMT2A 2627/4885MEN1 89/4885

“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.