SCHEMBL224314

SCHEMBL224314

CCCC(=O)N1c2ccc(C(=O)O)cc2[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RY1 P47900 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
SRD5A2 P31213 1/20 0.37
PLA2G4B P0C869 1/20 0.37
PKM P14618 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
SCHEMBL15890945 0.88 KDM4E (0.44) KMT2AMAPTMEN1SMN1; SMN2TSHR
SCHEMBL533160 0.87 NPSR1 (0.46) KMT2ANPSR1MAPTMEN1SMN1; SMN2
SCHEMBL222904 0.87 NPSR1 (0.46) KMT2ANPSR1MAPTMEN1SMN1; SMN2
SCHEMBL225291 0.82 MAPT (0.42) KMT2ANPSR1MAPTMEN1SMN1; SMN2
SCHEMBL224220 0.80 KMT2A (0.43) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL222992 0.77 LMNA (0.59) KMT2ANPSR1MAPTMEN1SMN1; SMN2
SCHEMBL532665 0.76 MAPT (0.48) KMT2ANPSR1MAPTMEN1SMN1; SMN2
SCHEMBL225509 0.74 BRD4 (0.55) SMN1; SMN2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL223583 0.74 BRD4 (0.55) SMN1; SMN2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL15992604 0.74 BRD4 (0.48) SMN1; SMN2TSHRCYP3A4CYP2C9CYP2C19

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
EP-2415764-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT Kowa Company, Ltd. (JP) 2012-02-08 EP disclosed
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2012-01-05 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-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 KMT2A 1459/4885NPSR1 3239/4885MAPT 4876/4885

“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.