SCHEMBL24728279

SCHEMBL24728279

CCC(C)Nc1cccc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
HTR1B P28222 2/20 0.43
DHPS P49366 1/20 0.42
HTR1A P08908 5/20 0.41
AHR P35869 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR6 P50406 1/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
THRB P10828 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
ALOX15 P16050 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL22001217 0.83 MAPK1 (0.51) MAPK1HTR1BDHPSHTR1AAHR
SCHEMBL27442487 0.76 MEN1 (0.46) MAPK1HTR1BDHPSAHRMEN1
SCHEMBL1801117 0.76 MAPK1 (0.51) MAPK1HTR1BDHPSHTR1AAHR
SCHEMBL27028793 0.75 DHPS (0.49) MAPK1HTR1BDHPSHTR1AMEN1
SCHEMBL2713353 0.73 MAPK1 (0.56) MAPK1HTR1BDHPSAHRHTR6
SCHEMBL9987427 0.73 CA12 (0.49) KMT2AATMCYP3A4THRBTSHR
SCHEMBL29385988 0.72 TSHR (0.58) MEN1KMT2ACYP3A4THRBTSHR
SCHEMBL48533 0.72 TSHR (0.58) MEN1KMT2ACYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL27532366 0.72 MAPK1 (0.54) MAPK1HTR1BDHPSAHRHTR6
SCHEMBL3793641 0.71 GPR84 (0.46) MAPK1HTR1BHTR1AAHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388968-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF PURDUE RESEARCH FOUNDATION 2022-12-08 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-20220388968-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF SPTBN1, CTTN, HBG1 MAPK1 614/4885HTR1B 4042/4885DHPS 1836/4885

“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.