SCHEMBL8934273

SCHEMBL8934273

N=C(N)NC(=N)NOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
IDO1 P14902 4/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
AGXT P21549 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.38
HRAS P01112 1/20 0.38

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
SCHEMBL1741620 0.85 NPC1 (0.56) NPC1RAB9AIDO1NOS3NOS1
Hydrochloric Acid SCHEMBL28129374 0.83 NPC1 (0.55) NPC1RAB9AIDO1NOS3NOS1
SCHEMBL1741631 0.83 RAB9A (0.47) NPC1RAB9AIDO1AGXTEPHX2
Acetic Acid SCHEMBL27764846 0.77 NPC1 (0.57) NPC1RAB9AEPHX2
SCHEMBL8011483 0.76 NPC1 (0.51) NPC1RAB9AIDO1EPHX2
SCHEMBL9395489 0.76 KMT2A (0.46) NPC1RAB9A
SCHEMBL27966484 0.75 L3MBTL1 (0.46) TSHR
SCHEMBL27836323 0.75 NPC1 (0.46) NPC1RAB9AIDO1EPHX2
SCHEMBL1520136 0.74 GRIN2D (0.49) IDO1TSHR
SCHEMBL6459391 0.74 NPC1 (0.62) NPC1RAB9AIDO1AGXTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
WO-1996015671-A1 HERBICIDES ZENECA LIMITED (GB) 1996-05-30 WO disclosed
WO-1996015672-A1 FUNGICIDAL COMPOSITION ZENECA LIMITED (GB) 1996-05-30 WO disclosed
US-5300503-A Larvicides FMC CORPORATION (US) 1994-04-05 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 (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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 NPC1 1592/4885RAB9A 2328/4885IDO1 2222/4885

“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.