SCHEMBL23623261

SCHEMBL23623261

O=C(NCc1n[nH]c(-c2cccs2)n1)c1ccccc1N1CCCC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.37
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
GRK6 P43250 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
PBK Q96KB5 3/20 0.34
PKM P14618 1/20 0.34
P2RX7 Q99572 1/20 0.34
ERCC1 P07992 1/20 0.34

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
SCHEMBL23623266 0.95 HPGD (0.40) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL23623298 0.91 HPGD (0.40) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL23611763 0.90 HPGD (0.41) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL29930610 0.90 HPGD (0.41) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL23623305 0.86 HDAC3 (0.41) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL23623421 0.83 MYC (0.38) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL23623308 0.81 KMT2A (0.41) HPGDHDAC3HDAC1HDAC2KDM4E
SCHEMBL23611743 0.78 ERCC1 (0.37) HPGDALDH1A1HDAC1GRK6ERCC1
SCHEMBL29930728 0.78 ERCC1 (0.37) HPGDALDH1A1HDAC1GRK6ERCC1
SCHEMBL23623265 0.77 KMT2A (0.40) HPGDSMN1; SMN2ALDH1A1MYCWDR5

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
WO-2023091590-A1 COMPOUNDS FOR USE IN TREATING GASTRIC CANCER BERG LLC (US) 2023-05-25 WO disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 US disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 WO 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 (3 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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 HPGD 1216/4885SMN1; SMN2 2366/4885CYP1A2 505/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HPGD 1216/4885SMN1; SMN2 2366/4885CYP1A2 505/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HPGD 1216/4885SMN1; SMN2 2366/4885CYP1A2 505/4885

“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.