SCHEMBL24593

SCHEMBL24593

Cc1nc2ccc(C(=O)O)cn2c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPG P10696 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ BRD4 O60885 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TPMT P51580 1/20 0.38
▸ F2RL1 P55085 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ AKT2 P31751 1/20 0.38
▸ EPHB3 P54753 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL15049916 0.83 KMT2A (0.48) BRD4ALDH1A1POLBGAATDP1
SCHEMBL31309445 0.82 ALPG (0.45) ALPGAKR1B1BRD4ALDH1A1POLB
SCHEMBL11252500 0.81 AKR1B1 (0.53) ALPGAKR1B1BRD4ALDH1A1POLB
SCHEMBL25391 0.78 F2RL1 (0.58) ALPGAKR1B1BRD4F2RL1AKT1
SCHEMBL15050221 0.78 F2RL1 (0.53) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL11254178 0.78 ALPG (0.50) ALPGAKR1B1BRD4ALDH1A1GAA
SCHEMBL1428462 0.78 TDP1 (0.42) ALDH1A1POLBGAATDP1KDM4E
SCHEMBL28786661 0.76 AKR1B1 (0.43) ALPGAKR1B1BRD4ALDH1A1GAA
SCHEMBL11929527 0.76 ALPG (0.41) ALPGAKR1B1BRD4ALDH1A1POLB
SCHEMBL16540967 0.74 CYP11B1 (0.43) ALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617721-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME Neopharm Co., Ltd. (KR) 2013-07-24 — — EP disclosed
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 — — US disclosed
WO-2012026765-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME (주)네오팜 (KR) 2012-03-01 — — 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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 ALPG 4852/4885AKR1B1 1844/4885BRD4 140/4885

“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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