SCHEMBL5865535

SCHEMBL5865535

C=CCN(CC=C)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MAOA P21397 1/20 0.42
KDM1A O60341 2/20 0.41
CYP2D6 P10635 4/20 0.39
LMNA P02545 3/20 0.39
PTGS1 P23219 3/20 0.39
SLC22A1 O15245 2/20 0.39
PRNP P04156 2/20 0.39
CYP1A2 P05177 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
HTR1A P08908 2/20 0.39
CHRM5 P08912 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
DRD2 P14416 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
CHRM3 P20309 2/20 0.39
DRD1 P21728 2/20 0.39

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
SCHEMBL9724497 0.73 KDM1A (0.47) KMT2AMAOAKDM1ACYP2D6LMNA
SCHEMBL7341247 0.73 KDM1A (0.59) KMT2AKDM1ACYP2D6LMNASLC22A1
SCHEMBL39172 0.72 KMT2A (0.52) KMT2AMAOAKDM1ACYP2D6LMNA
SCHEMBL29376932 0.72 KMT2A (0.52) KMT2AMAOAKDM1ACYP2D6LMNA
Iodide SCHEMBL11442732 0.70 KMT2A (0.51) KMT2AMAOAKDM1ACYP2D6LMNA
SCHEMBL15229632 0.70 BCHE (0.49) MAOAKDM1ACYP2D6LMNAPTGS1
Iodide SCHEMBL16343944 0.69 BCHE (0.48) MAOAKDM1ACYP2D6LMNAPTGS1
Iodide SCHEMBL16343689 0.69 BCHE (0.48) MAOAKDM1ACYP2D6LMNAPTGS1
SCHEMBL272974 0.69 MAOA (0.52) KMT2AMAOAKDM1APTGS1ADRA2A
SCHEMBL8095239 0.69 MAOA (0.58) KMT2AMAOAKDM1ACYP2D6LMNA

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
US-7101997-B2 Method for producing phenothiazinium compounds HONEYWELL INTERNATIONAL INC. (US) 2006-09-05 US disclosed
US-20060079681-A1 Process for exchanging anions in phenothiazinium derivatives HONEYWELL INTERNATIONAL INC. 2006-04-13 US disclosed
US-20060079682-A1 Method for producing phenothiazinium compounds HONEYWELL INTERNATIONAL INC. 2006-04-13 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-20060079682-A1 Method for producing phenothiazinium compounds HRH3, HRH4, HRH2 KMT2A 567/4885MAOA 1110/4885KDM1A 2772/4885
US-20060079681-A1 Process for exchanging anions in phenothiazinium derivatives HRH3, HRH4, KCNH3 KMT2A 516/4885MAOA 4212/4885KDM1A 2512/4885

“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.