SCHEMBL3708846

SCHEMBL3708846

O=C(O)c1ccc(/N=N/c2cccc(Cl)c2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.58
▸ CASP1 P29466 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTT P42858 2/20 0.47
▸ PDE4A P27815 1/20 0.46
▸ BLVRB P30043 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ GLO1 Q04760 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ DCLRE1B Q9H816 1/20 0.42

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
SCHEMBL1498095 0.88 TSHR (0.61) TSHRCASP1SMN1; SMN2MEN1KMT2A
SCHEMBL1498097 0.88 TSHR (0.61) TSHRCASP1SMN1; SMN2MEN1KMT2A
SCHEMBL11062287 0.81 GLO1 (0.48) MEN1KMT2AMAPTCYP2C19HTT
SCHEMBL11062285 0.81 GLO1 (0.48) MEN1KMT2AMAPTCYP2C19HTT
SCHEMBL28234558 0.77 MEN1 (0.55) SMN1; SMN2MEN1KMT2AMAPTCYP2C19
SCHEMBL7870702 0.76 HTR3E (0.58) TSHRMEN1KMT2AMAPTCYP2C19
SCHEMBL30102029 0.76 HTR3E (0.58) TSHRMEN1KMT2AMAPTCYP2C19
SCHEMBL7870699 0.76 HTR3E (0.58) TSHRMEN1KMT2AMAPTCYP2C19
SCHEMBL111279 0.74 TSHR (1.00) TSHRCASP1SMN1; SMN2MEN1KMT2A
SCHEMBL3396994 0.73 TSHR (0.52) TSHRCASP1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220142889-A1 TOPICAL COMPOSITION FRAMERGY INC. 2022-05-12 — — US disclosed
US-20220023829-A1 AMORPHOUS METAL ORGANIC FRAMEWORKS AND METHODS OF PREPARING THE SAME ABSORPTION SOLUTIONS LLC 2022-01-27 — — US disclosed
EP-3890878-A2 AMORPHOUS METAL ORGANIC FRAMEWORKS AND METHODS OF PREPARING THE SAME Framergy Inc. (US) 2021-10-13 — — EP disclosed
WO-2020117833-A2 AMORPHOUS METAL ORGANIC FRAMEWORKS AND METHODS OF PREPARING THE SAME FRAMERGY INC. (US) 2020-06-11 — — WO disclosed
US-8940392-B2 Titanium based inorganic-organic hybrid solid material, method for preparing same and uses thereof UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2015-01-27 — — US disclosed
US-20120121904-A1 TITANIUM BASED INORGANIC-ORGANIC HYBRID SOLID MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF L'UNIVERSITE PIERRE ET MARIE CURIE, (PARIS 6) (FR) 2012-05-17 — — 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-20220142889-A1 TOPICAL COMPOSITION CUTA, TYR, ERCC4 TSHR 3821/4885CASP1 3745/4885SMN1; SMN2 3754/4885

“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.

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