SCHEMBL17817259

SCHEMBL17817259

CCCCCCCCCCCCCC[n+]1ccsc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CHRM2 P08172 2/20 0.54
ADRA2A P08913 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
CHRM1 P11229 2/20 0.54
ACHE P22303 2/20 0.54
SLC6A2 P23975 2/20 0.54

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
SCHEMBL22189025 1.00 KMT2A (0.57) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL11135650 1.00 KMT2A (0.57) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL11445709 1.00 KMT2A (0.57) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL10606851 1.00 KMT2A (0.57) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL22189120 1.00 KMT2A (0.57) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL9778325 1.00 KMT2A (0.57) KMT2AMEN1MAPTTP53CYP1A2
Bromide SCHEMBL7193298 0.98 KMT2A (0.55) KMT2AMEN1MAPTTP53CYP1A2
Hydrochloric Acid SCHEMBL11175485 0.98 KMT2A (0.55) KMT2AMEN1MAPTTP53CYP1A2
Hydrochloric Acid SCHEMBL11349501 0.98 KMT2A (0.55) KMT2AMEN1MAPTTP53CYP1A2
Hydrochloric Acid SCHEMBL11693482 0.98 KMT2A (0.55) KMT2AMEN1MAPTTP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 KMT2A 411/4885MEN1 4785/4885MAPT 4762/4885

“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.