SCHEMBL5306381

SCHEMBL5306381

CCC(=O)Nc1ccc2c(c1)c(Cl)nn2CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.45
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KDM4C Q9H3R0 2/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ RORC P51449 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ATAD2 Q6PL18 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ CTRB1 P17538 1/20 0.40

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
SCHEMBL14361085 0.87 TSHR (0.42) SMN1; SMN2TSHRKDM4CRORCKDM4E
SCHEMBL27713903 0.86 KDM4C (0.43) NPC1KDM4CRORC
SCHEMBL14361090 0.84 HPGD (0.45) SMN1; SMN2KDM4CKDM4EALDH1A1GAA
SCHEMBL14360940 0.84 ALDH1A1 (0.42) SMN1; SMN2TSHRKDM4EALDH1A1GAA
SCHEMBL14360962 0.82 ALDH1A1 (0.43) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL27693955 0.82 OPRM1 (0.43) NPC1KDM4C
SCHEMBL14360961 0.81 MEN1 (0.50) RAB9ASMN1; SMN2NPC1TSHRKDM4E
SCHEMBL5303414 0.81 TYK2 (0.49) CYP3A4RAB9ASMN1; SMN2NPC1KDM4C
SCHEMBL5436150 0.80 KDM4E (0.43) CYP3A4RAB9ASMN1; SMN2NPC1KDM4C
SCHEMBL14360923 0.78 RAB9A (0.50) CYP3A4RAB9ASMN1; SMN2NPC1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101098857-A Nitro indazole derivatives ASTRAZENECA AB (SE) 2008-01-02 — — CN disclosed
US-20070265325-A1 Nitro Indazole Derivatives ASTRAZENECA AB (SE) 2007-11-15 — — US disclosed
US-20070265325-A1 Nitro Indazole Derivatives ASTRAZENECA AB (SE) 2007-11-15 — — US disclosed
US-20070265325-A1 Nitro Indazole Derivatives ASTRAZENECA AB (SE) 2007-11-15 — — US disclosed
EP-1814864-A1 NITRO INDAZOLE DERIVATIVES AstraZeneca AB (SE) 2007-08-08 — — EP disclosed
WO-2006052189-A1 NITRO INDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2006-05-18 — — 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 (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-20070265325-A1 Nitro Indazole Derivatives NOS3, CYP3A43, NOS2 CYP3A4 4/4885RAB9A 1965/4885SMN1; SMN2 767/4885

“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.

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