SCHEMBL3338488

SCHEMBL3338488

CCn1nc(C(=O)O)c2ccc(O)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.57
TSHR P16473 2/20 0.50
PMP22 Q01453 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
BLM P54132 1/20 0.50
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
HCAR3 P49019 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
RBP4 P02753 1/20 0.38
MCL1 Q07820 1/20 0.37

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
SCHEMBL5430910 0.84 TSHR (0.54) TSHRPMP22KDM4EALDH1A1LMNA
SCHEMBL492474 0.84 TSHR (0.49) ESR1TSHRPMP22KDM4EALDH1A1
SCHEMBL492396 0.81 ALDH1A1 (0.49) TSHRPMP22KDM4EALDH1A1LMNA
SCHEMBL2081436 0.80 TSHR (0.56) TSHRPMP22KDM4EALDH1A1LMNA
SCHEMBL29805597 0.80 TSHR (0.56) TSHRPMP22KDM4EALDH1A1LMNA
SCHEMBL20749536 0.80 ESR1 (0.54) ESR1TSHRKDM4EALDH1A1LMNA
SCHEMBL27722495 0.79 HSP90AA1 (0.37) ESR1TSHRPMP22ALDH1A1CYP1A2
SCHEMBL18853871 0.78 ESR1 (0.63) ESR1ADORA2AADORA2BSLC22A12
SCHEMBL18554320 0.77 ESR1 (0.42) ESR1LMNAHTR3A
SCHEMBL492517 0.75 BRD4 (0.45) ESR1TSHRPMP22KDM4EALDH1A1

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-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 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-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 ESR1 1808/4885TSHR 426/4885PMP22 4846/4885

“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.