SCHEMBL752333

SCHEMBL752333

Cc1ncc(Cc2ccc(F)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ LMNA P02545 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ GAA P10253 2/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ EPHX2 P34913 1/20 0.44

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
SCHEMBL14076496 0.85 LMNA (0.48) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL12536051 0.82 KMT2A (0.52) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL10272444 0.81 LMNA (0.64) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL13844981 0.81 POLB (0.41) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL4545466 0.80 EPHX2 (0.53) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL10272620 0.79 POLB (0.69) SMN1; SMN2LMNAALDH1A1RAB9AHPGD
SCHEMBL19225206 0.79 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL963712 0.79 EPHX2 (0.70) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL13218160 0.78 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL13142435 0.78 SLC6A3 (0.43) LMNAALDH1A1GAATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3196201-B1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2021-04-28 — — EP disclosed
EP-3757105-A2 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY Shionogi & Co., Ltd (JP) 2020-12-30 — — EP disclosed
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 — — US disclosed
EP-3196201-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2017-07-26 — — 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 — — US 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
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 — — EP disclosed
US-20100204237-A1 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase MIKAMIYAMA HIDENORI 2010-08-12 — — US disclosed
US-7745453-B2 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-06-29 — — US 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
US-20070149556-A1 Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2007-06-28 — — US 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-20070149556-A1 Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase HAT1, SULT1A1, CDK20 SMN1; SMN2 1918/4885LMNA 3192/4885ALDH1A1 340/4885
US-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT SMN1; SMN2 3953/4885LMNA 2825/4885ALDH1A1 658/4885
US-20100204237-A1 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase HAT1, SULT1A1, CDK20 SMN1; SMN2 1918/4885LMNA 3192/4885ALDH1A1 340/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 SMN1; SMN2 4086/4885LMNA 1344/4885ALDH1A1 1332/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885LMNA 2945/4885ALDH1A1 424/4885

“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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