SCHEMBL21755093

SCHEMBL21755093

CC(C)c1ccc(-n2nn[nH]c2=S)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
DHODH Q02127 1/20 0.39
UCHL3 P15374 1/20 0.39
MGLL Q99685 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 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
SCHEMBL5906077 0.79 TDP1 (0.51) NOTUMTDP1DHODHMGLLPTGS1
SCHEMBL9557286 0.77 APOBEC3G (0.41) HTTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL12892336 0.71 MAPK10 (0.46) NOTUMSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1251020 0.69 ALKBH5 (0.37) TDP1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL9779833 0.67 TDP1 (0.39) NOTUMTDP1DHODHMGLLHTT
SCHEMBL17318178 0.65 CA12 (0.30)
SCHEMBL23328981 0.64 TSHR (0.56) NOTUMTDP1DHODHMGLLPTGS1
SCHEMBL10022371 0.64 LMNA (0.51) NOTUMTDP1DHODHHTTNPSR1
SCHEMBL3248707 0.63 NPBWR1 (0.47) NOTUMTDP1PTGS1NPSR1SMN1; SMN2
SCHEMBL10022440 0.63 NOTUM (0.46) NOTUMTDP1DHODHMGLLPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000883-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY 2022-01-06 US disclosed
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2020-02-25 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 (2 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-20220000883-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO PTGER2, PTGES2, PTGER1 NOTUM 1460/4885TDP1 3193/4885DHODH 1802/4885
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 NOTUM 1460/4885TDP1 3193/4885DHODH 1802/4885

“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.