SCHEMBL3066634

SCHEMBL3066634

O=C(O)NCCc1ncccc1S

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
MTNR1A P48039 1/20 0.37
RAB9A P51151 4/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
FTO Q9C0B1 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL3078742 0.83 ADORA2A (0.39) ALDH1A1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL3657811 0.81 ALDH1A1 (0.40) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL3081832 0.79 KDM4E (0.44) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL1694984 0.71 RAB9A (0.62) ALDH1A1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5785695 0.71 MTNR1A (0.43) ALDH1A1HPGDEGLN1MTNR1ARAB9A
SCHEMBL3794949 0.71 CHRM2 (0.36) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL28214523 0.71 MTNR1A (0.41) ALDH1A1MTNR1AKMT2ASMN1; SMN2EPHX2
SCHEMBL3089379 0.70 SSTR4 (0.33) KMT2ASMN1; SMN2P2RX7
Hydrochloric Acid SCHEMBL7603529 0.70 RAB9A (0.61) ALDH1A1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL11341145 0.70 PSMD14 (0.41) ALDH1A1HPGDKDM4E

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-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 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-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M ALDH1A1 2468/4885HPGD 3368/4885EGLN1 2047/4885

“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.