SCHEMBL17273630

SCHEMBL17273630

O=C1c2ccccc2C(=O)N1CCCCOc1cc(CBr)cc(CBr)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL17273619 0.86 RAB9A (0.60) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL30602605 0.86 RAB9A (0.60) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL505643 0.83 RAB9A (0.66) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL1742147 0.82 RAB9A (0.66) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL10488542 0.81 RAB9A (0.71) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL1999435 0.81 RAB9A (0.90) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL17278899 0.80 HSD17B10 (0.54) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL11996369 0.79 RAB9A (0.87) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL8554591 0.79 RAB9A (0.87) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL2147069 0.78 RAB9A (0.69) RAB9AMAPTSMN1; SMN2HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168005-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES National Health Research Institutes (TW) 2023-04-26 EP disclosed
EP-3145922-B1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES MOLECULAR TARGETING TECH INC (US) 2022-07-20 EP disclosed
WO-2021262628-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-12-30 WO disclosed
CN-106660992-B Dimethylpyridine derivative and medical application thereof 美泰康公司 2021-01-08 CN disclosed
EP-3145922-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES Molecular Targeting Technologies, Inc. (US) 2017-03-29 EP disclosed
US-9388193-B2 Dipicolylamine derivatives and their pharmaceutical uses NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2016-07-12 US disclosed
US-9388193-B2 Dipicolylamine derivatives and their pharmaceutical uses NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2016-07-12 US disclosed
US-9388193-B2 Dipicolylamine derivatives and their pharmaceutical uses NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2016-07-12 US disclosed
WO-2015179299-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES MOLECULAR TARGETING TECHNOLOGIES, INC. (US) 2015-11-26 WO disclosed
US-20150336976-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES NAT HEALTH RESEARCH INSTITUTES (TW) 2015-11-26 US disclosed
US-20150336976-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES NAT HEALTH RESEARCH INSTITUTES (TW) 2015-11-26 US disclosed
WO-2015179299-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES MOLECULAR TARGETING TECHNOLOGIES, INC. (US) 2015-11-26 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 (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-20150336976-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES PTDSS2, PTDSS1, ITPR2 RAB9A 2684/4885MAPT 3242/4885SMN1; SMN2 2689/4885

“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.