SCHEMBL753276

SCHEMBL753276

Cc1cc(Oc2ccccc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
CYP1A2 P05177 4/20 0.61
CYP2C19 P33261 4/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
CYP2C9 P11712 3/20 0.61
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.57
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 1/20 0.53
ATM Q13315 1/20 0.53
HTT P42858 2/20 0.51
GLA P06280 1/20 0.50
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDR P35968 2/20 0.46
TNNI3K Q59H18 2/20 0.46

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
SCHEMBL8217612 0.86 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
Propane SCHEMBL10922511 0.85 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL17720569 0.84 MAP4K4 (0.52) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL19753877 0.82 ALDH1A1 (0.53) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL4795745 0.81 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL4795754 0.81 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL16202043 0.81 MAPK1 (0.50) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL16202046 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL12825399 0.81 NPC1 (0.61) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL26750123 0.80 KDR (0.47) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-27 US disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
WO-2008095852-A1 BRONCHORELAXING ARYLAMIDES RESPIRATORIUS AB (SE) 2008-08-14 WO disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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 (5 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT SMN1; SMN2 3953/4885CYP1A2 1120/4885CYP2C19 1383/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 SMN1; SMN2 813/4885CYP1A2 2027/4885CYP2C19 2920/4885
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE CYC1, SQOR, MT-CO1 SMN1; SMN2 4428/4885CYP1A2 265/4885CYP2C19 113/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885CYP1A2 875/4885CYP2C19 1293/4885
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES CYC1, SQOR, MT-CO3 SMN1; SMN2 4452/4885CYP1A2 253/4885CYP2C19 125/4885

“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.