SCHEMBL22101670

SCHEMBL22101670

CN/C(S)=N/N=C(C(=N/N=C(\S)NC)/c1ccc(Br)cc1)\c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ AKR1C3 P42330 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL22101954 0.90 GAA (0.37) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22101997 0.85 ESR1 (0.41) MEN1KMT2ARAB9ACYP3A4ALDH1A1
SCHEMBL22101637 0.85 GAA (0.33) CYP2C19ALDH1A1LMNAATMTDP1
SCHEMBL22101642 0.84 TSHR (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22101605 0.84 MEN1 (0.36) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22101658 0.84 KMT2A (0.33) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22101640 0.84 TSHR (0.45) MEN1KMT2ASMN1; SMN2NPC1CYP2C19
SCHEMBL22101991 0.84 KMT2A (0.37) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22101609 0.84 POLB (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22101672 0.84 ITGA1 (0.36) CYP1A2ALDH1A1ATMTDP1HPGD

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 MEN1 902/4885KMT2A 1051/4885SMN1; SMN2 2/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU MEN1 902/4885KMT2A 1051/4885SMN1; SMN2 2/4885

“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.

Send feedback