SCHEMBL6212304

SCHEMBL6212304

O=C(O)C1Nc2cc(Cl)cc(Cl)c2C2c3ccccc3CC12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSPA1A P0DMV8 2/20 0.53
▸ GAPDH P04406 1/20 0.53
▸ HSPA8 P11142 1/20 0.53
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTPN7 P35236 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ CDC25B P30305 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
SCHEMBL6213144 0.89 HSPA1A (0.51) HSPA1AGAPDHHSPA8MEN1KMT2A
SCHEMBL6212040 0.83 MEN1 (0.40) HSPA1AGAPDHHSPA8MEN1KMT2A
SCHEMBL6213227 0.75 MEN1 (0.39) HSPA1AGAPDHHSPA8MEN1KMT2A
SCHEMBL4712095 0.74 HSPA1A (0.47) HSPA1AGAPDHHSPA8MEN1KMT2A
SCHEMBL6211966 0.74 MEN1 (0.40) MEN1KMT2APOLBL3MBTL1
SCHEMBL4713073 0.72 GAPDH (0.47) HSPA1AGAPDHHSPA8MEN1KMT2A
SCHEMBL6641216 0.70 GAPDH (0.60) HSPA1AGAPDHHSPA8MEN1KMT2A
SCHEMBL6087749 0.69 HSPA1A (1.00) HSPA1AGAPDHHSPA8MEN1KMT2A
SCHEMBL4712217 0.69 GAPDH (0.44) HSPA1AGAPDHHSPA8MEN1KMT2A
SCHEMBL4712093 0.69 GAPDH (0.44) HSPA1AGAPDHHSPA8MEN1KMT2A

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
EP-1254118-B1 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2005-11-09 — — EP claimed
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds GRUENENTHAL GMBH (DE) 2004-11-11 — — US claimed
EP-1254118-B1 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2005-11-09 — — EP disclosed
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds GRUENENTHAL GMBH (DE) 2004-11-11 — — US disclosed
US-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 — — US disclosed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 — — 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-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives SDHA, CACNA1A, GRIN2C HSPA1A 3371/4885GAPDH 1284/4885HSPA8 4627/4885
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds OPRK1, SDHA, GRIN2C HSPA1A 2266/4885GAPDH 749/4885HSPA8 3878/4885

“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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