SCHEMBL18762166

SCHEMBL18762166

O=C(Nc1ccn(Cc2ccccc2OCc2ccccc2)n1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.78
SMN1; SMN2 Q16637 10/20 0.68
LMNA P02545 6/20 0.68
ALDH1A1 P00352 4/20 0.68
STAT3 P40763 2/20 0.68
MAPT P10636 2/20 0.68
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
NPSR1 Q6W5P4 4/20 0.61
HPGD P15428 2/20 0.60
HTT P42858 3/20 0.57
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
PKM P14618 1/20 0.51
CACNA1G O43497 2/20 0.49
CACNA1I Q9P0X4 2/20 0.49
TSHR P16473 1/20 0.49
CACNA1H O95180 1/20 0.48
CYP1A2 P05177 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
SCHEMBL704436 0.86 SMN1; SMN2 (0.65) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561255 0.76 SMN1; SMN2 (0.58) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL757524 0.76 PTGER1 (0.67) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL759700 0.76 PTGER1 (0.78) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL755782 0.76 PTGER1 (0.63) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL4496456 0.76 SMN1; SMN2 (0.72) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL694365 0.76 ALDH1A1 (0.56) PTGER1LMNAALDH1A1MAPTHPGD
SCHEMBL24335934 0.75 SMN1; SMN2 (0.79) PTGER1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL757179 0.74 PTGER1 (0.75) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL757815 0.73 STIM1 (0.56) PTGER1SMN1; SMN2LMNAALDH1A1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US claimed
WO-2023141523-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS CALCIMEDICA, INC. (US) 2023-07-27 WO disclosed
US-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME AVENUE CAPITAL MANAGEMENT II, L.P. 2023-04-20 US disclosed
EP-4121089-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME Calcimedica, Inc. (US) 2023-01-25 EP disclosed
WO-2021189013-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME CALCIMEDICA, INC. (US) 2021-09-23 WO disclosed
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 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 (2 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-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME MAVS, ATF1, IL1B PTGER1 552/4885SMN1; SMN2 4507/4885LMNA 928/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 PTGER1 3463/4885SMN1; SMN2 498/4885LMNA 2595/4885

“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.