SCHEMBL18624764

SCHEMBL18624764

Cc1cc(F)ccc1CCNC(=N)NC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.42
NOTUM Q6P988 2/20 0.38
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
ALDH1A1 P00352 2/20 0.34
P2RX7 Q99572 1/20 0.34
MMP1 P03956 2/20 0.34
SPR P35270 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
KLKB1 P03952 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
MPO P05164 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31

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
SCHEMBL17198952 0.88 NR3C2 (0.45) NR3C2NOTUMMTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL28129385 0.87 NR3C2 (0.44) NR3C2NOTUMMTNR1AMTNR1BALDH1A1
SCHEMBL17198982 0.86 P2RX7 (0.43) NR3C2P2RX7MMP1KMT2AKLKB1
SCHEMBL17198937 0.86 NPC1 (0.36) MTNR1AMTNR1BALDH1A1GAAKMT2A
SCHEMBL7970601 0.83 NOTUM (0.39) NOTUMMTNR1AMTNR1BALDH1A1SPR
SCHEMBL18624767 0.80 TAAR1 (0.44) NR3C2MTNR1AALDH1A1GAAKMT2A
SCHEMBL21562551 0.76 MTNR1A (0.46) NOTUMMTNR1AMTNR1BALDH1A1SPR
SCHEMBL21562514 0.76 CDK2 (0.46) NOTUMMTNR1AMTNR1BSPRKMT2A
SCHEMBL17198805 0.76 P2RX7 (0.47) NR3C2NOTUMP2RX7MMP1KMT2A
SCHEMBL17198796 0.76 HPGD (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NR3C2 3709/4885NOTUM 4095/4885MTNR1A 2571/4885

“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.