SCHEMBL22101983

SCHEMBL22101983

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ DHFR P00374 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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 0.85 ESR1 (0.33) MAPTESR1ESR2
SCHEMBL22101576 0.85 LMNA (0.39) NPC1MAPTRAB9ATSHRSMN1; SMN2
SCHEMBL22101610 0.85 ALDH1A1 (0.34) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL22101951 0.85 — —
SCHEMBL22101589 0.84 NOS1 (0.40) MAPTNOS3NOS1TSHRTDP1
SCHEMBL22101605 0.84 MEN1 (0.36) CYP19A1NPC1MAPTRAB9ATSHR
SCHEMBL22101652 0.84 KMT2A (0.39) NPC1MAPTRAB9ANOS3NOS1
SCHEMBL22101585 0.84 METTL3 (0.34) NPC1MAPTRAB9ANOS3NOS1
SCHEMBL22101627 0.84 TPMT (0.33) —
SCHEMBL22101577 0.84 ADRA2A (0.33) —

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 CYP19A1 2029/4885NPC1 2846/4885MAPT 343/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU CYP19A1 2029/4885NPC1 2846/4885MAPT 343/4885

“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