SCHEMBL23200119

SCHEMBL23200119

O=C(NCCc1ccccc1)N(Cc1ccccn1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
EPHX2 P34913 2/20 0.47
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TAAR1 Q96RJ0 3/20 0.45
RECQL P46063 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.44

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 0.81 ALDH1A1 (0.59) TSHRSMN1; SMN2RAB9ANPC1TP53
SCHEMBL23200077 0.80 ALDH1A1 (0.60) TSHRSMN1; SMN2RAB9ANPC1TP53
SCHEMBL23699879 0.76 ALDH1A1 (0.68) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL23200068 0.76 ALDH1A1 (0.54) TSHRSMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL23199998 0.76 SMN1; SMN2 (0.61) TSHRSMN1; SMN2RAB9ANPC1TP53
SCHEMBL23200188 0.75 ALDH1A1 (0.46) TSHRSMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL23200171 0.75 UBE2M (0.49) TSHRSMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL8808280 0.74 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL23200115 0.74 TSHR (0.55) TSHRSMN1; SMN2RAB9ANPC1TP53
SCHEMBL23199941 0.74 TSHR (0.60) TSHRRAB9ATP53ALDH1A1HPGD

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 TSHR 343/4885SMN1; SMN2 3779/4885RAB9A 1544/4885

“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.