SCHEMBL22101576

SCHEMBL22101576

CN/C(S)=N/N=C(C)/C(=N/N=C(\S)NC)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ ALDH1A1 P00352 6/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NLRP1 Q9C000 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SRD5A2 P31213 1/20 0.32

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
SCHEMBL22101613 0.87 ESR1 (0.33) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22101610 0.87 ALDH1A1 (0.34) LMNAPOLBALDH1A1CYP2C9MAPT
SCHEMBL22101951 0.87 — —
SCHEMBL22101577 0.85 ADRA2A (0.33) ALDH1A1ALOX15
SCHEMBL22101627 0.85 TPMT (0.33) —
SCHEMBL22101668 0.85 TSHR (0.39) POLBALDH1A1ALOX15TSHRMAPT
SCHEMBL22101652 0.85 KMT2A (0.39) LMNAPOLBMAPTHTTGAA
SCHEMBL22101609 0.85 POLB (0.44) LMNAPOLBALDH1A1ALOX15TSHR
SCHEMBL22101983 0.85 CYP19A1 (0.35) TSHRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22101956 0.85 GAA (0.37) LMNAPOLBALDH1A1CYP2C19TSHR

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
US-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2023-06-08 — — US disclosed
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2020-06-18 — — 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 (2 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-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU LMNA 3292/4885POLB 1445/4885ALDH1A1 293/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU LMNA 3292/4885POLB 1445/4885ALDH1A1 293/4885

“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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