SCHEMBL2889489

SCHEMBL2889489

Cc1c([N+](=O)[O-])ccc2c1OC(C)(C)[C@H](O)[C@H]2OC(=O)NCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
KCNA5 P22460 2/20 0.38
PLCG2 P16885 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
BCHE P06276 1/20 0.37
ADCY1 Q08828 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
SCHEMBL2889365 0.86 KCNA5 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2889241 0.82 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5987814 0.82 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2889239 0.82 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2891644 0.81 KCNA5 (0.42) NPC1RAB9AKCNA5
SCHEMBL2891148 0.81 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2887604 0.79 NPC1 (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2889490 0.79 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL5988457 0.79 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5988462 0.79 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 NPC1 3993/4885RAB9A 2024/4885SMN1; SMN2 2729/4885

“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.