SCHEMBL4841914

SCHEMBL4841914

S=C1NCCc2ccccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSP90AA1 P07900 1/20 0.48
THRB P10828 1/20 0.48
HK1 P19367 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
GALK1 P51570 1/20 0.48
BLM P54132 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
GAA P10253 3/20 0.42
HTR2C P28335 1/20 0.41

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
SCHEMBL44824 0.79 HTR5A (0.53) MAPTNPC1KDM4EMEN1KMT2A
Indoline SCHEMBL5629 0.78
Indoline SCHEMBL29360339 0.78
Indoline SCHEMBL28048786 0.77 HTR2C (0.46) MAPTNPC1KDM4EMEN1KMT2A
Indoline SCHEMBL23295083 0.76 HTR2C (0.50) MAPTNPC1KDM4EMEN1KMT2A
Indoline SCHEMBL11401846 0.76 HTR2C (0.50) MAPTNPC1KDM4EMEN1KMT2A
Indoline SCHEMBL8194348 0.76 HTR2C (0.50) MAPTNPC1KDM4EMEN1KMT2A
Indoline SCHEMBL1587228 0.76 HTR2C (0.50) MAPTNPC1KDM4EMEN1KMT2A
Indoline SCHEMBL4903255 0.76 HTR2C (0.50) MAPTNPC1KDM4EMEN1KMT2A
Indoline SCHEMBL10723456 0.76 HTR2C (0.50) MAPTNPC1KDM4EMEN1KMT2A

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-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 WO disclosed
US-7323458-B1 Dihydrobenzodiazepins and their use for treating dyslipidemia MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-29 US disclosed
US-7323458-B1 Dihydrobenzodiazepins and their use for treating dyslipidemia MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-29 US disclosed
EP-1189890-B1 DIHYDROBENZODIAZEPINS AND THEIR USE FOR TREATING DYSLIPIDEMIA MERCK PATENT GMBH (DE) 2006-04-19 EP 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-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 MAPT 4710/4885NPC1 2463/4885KDM4E 3826/4885

“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.