SCHEMBL6030180

SCHEMBL6030180

O=c1c(Cl)c(N2CCNCC2)cnn1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
DCTPP1 Q9H773 4/20 0.66
MAPT P10636 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
HTT P42858 2/20 0.56
MITF O75030 1/20 0.56
S1PR4 O95977 1/20 0.56
THRB P10828 1/20 0.56
XBP1 P17861 1/20 0.56
S1PR1 P21453 1/20 0.56
PAX8 Q06710 1/20 0.56
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL4675758 0.89 CA12 (0.56) ALDH1A1DCTPP1MAPTSMN1; SMN2CA12
SCHEMBL11943550 0.88 CYP3A4 (0.61) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL13219330 0.87 ALDH1A1 (0.70) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL14080975 0.84 RAB9A (0.54) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL11943534 0.84 ALDH1A1 (0.73) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL11943533 0.82 ALDH1A1 (0.67) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL13304485 0.79 NPC1 (0.65) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL14081526 0.77 ALDH1A1 (0.56) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL14082616 0.77 HTR1A (0.52) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL17057998 0.77 NPC1 (0.50) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
US-20230015617-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2023-01-19 US disclosed
US-11160803-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2021-11-02 US disclosed
US-10449192-B2 Phthalazinone derivatives KUDO PHARMACEUTICALS LIMITED (GB) 2019-10-22 US disclosed
US-20180185363-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2018-07-05 US disclosed
US-20170226124-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-10 US disclosed
US-9566276-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2017-02-14 US disclosed
US-7022696-B2 Piperazino-derivatives and their use as PDE4 inhibitor ALTANA PHARMA AG (DE) 2006-04-04 US disclosed
US-20040132721-A1 Piperazino-derivatives and their use as pde4 inhibitor ATLANTA PHARMA AG (DE) 2004-07-08 US disclosed
EP-1385838-A1 PIPERAZINO-DERIVATIVES AND THEIR USE AS PDE4 INHIBITOR ALTANA Pharma AG (DE) 2004-02-04 EP disclosed
WO-2002085885-A1 PIPERAZINO-DERIVATIVES AND THEIR USE AS PDE4 INHIBITOR ALTANA PHARMA AG (DE) 2002-10-31 WO 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 (7 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-20170226124-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 ALDH1A1 1599/4885DCTPP1 3596/4885MAPT 4216/4885
US-10449192-B2 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 ALDH1A1 1678/4885DCTPP1 3553/4885MAPT 4208/4885
US-11160803-B2 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 ALDH1A1 1678/4885DCTPP1 3553/4885MAPT 4208/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 ALDH1A1 1311/4885DCTPP1 103/4885MAPT 1925/4885
US-20040132721-A1 Piperazino-derivatives and their use as pde4 inhibitor PDE4A, PDE4B, PDE3A ALDH1A1 501/4885DCTPP1 581/4885MAPT 4526/4885
US-20230015617-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 ALDH1A1 1599/4885DCTPP1 3596/4885MAPT 4216/4885
US-20180185363-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 ALDH1A1 1678/4885DCTPP1 3553/4885MAPT 4208/4885

“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.