SCHEMBL23200077

SCHEMBL23200077

O=C(Nc1ccccc1)N(Cc1ccccn1)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TSHR P16473 1/20 0.59
TP53 P04637 1/20 0.53
ATM Q13315 1/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL23199958 0.99 ALDH1A1 (0.59) ALDH1A1TSHRTP53ATMRAB9A
SCHEMBL23199941 0.91 TSHR (0.60) ALDH1A1TSHRTP53RAB9AHPGD
SCHEMBL23200115 0.91 TSHR (0.55) ALDH1A1TSHRTP53RAB9APOLB
SCHEMBL23199998 0.88 SMN1; SMN2 (0.61) ALDH1A1TSHRTP53RAB9ANPC1
SCHEMBL23199984 0.84 TSHR (0.59) ALDH1A1TSHRTP53RAB9APOLB
SCHEMBL23199925 0.81 ALDH1A1 (0.65) ALDH1A1TP53ATMKDM4EPOLB
SCHEMBL23200119 0.80 TSHR (0.54) ALDH1A1TSHRTP53RAB9AKDM4E
SCHEMBL23200003 0.80 ALDH1A1 (0.66) ALDH1A1TP53ATMKDM4EPOLB
SCHEMBL29432969 0.78 KDM4E (0.54) ALDH1A1TSHRTP53RAB9AKDM4E
SCHEMBL29432981 0.78 KDM4E (0.54) ALDH1A1TSHRTP53RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US claimed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 EP claimed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 ALDH1A1 606/4885TSHR 343/4885TP53 557/4885

“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.