SCHEMBL9288129

SCHEMBL9288129

[123I]c1cn(Cc2ccccc2)nn1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.61
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ HRH4 Q9H3N8 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HSP90AB1 P08238 2/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ GSK3B P49841 1/20 0.47

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
SCHEMBL22510634 0.80 CYP19A1 (0.82) CYP19A1NPC1RAB9AALDH1A1LMNA
SCHEMBL11521784 0.77 CYP19A1 (0.61) CYP19A1NPC1RAB9AHRH4ALDH1A1
SCHEMBL9290483 0.77 CYP19A1 (0.61) CYP19A1NPC1RAB9AHRH4ALDH1A1
SCHEMBL16717478 0.77 CYP19A1 (0.61) CYP19A1NPC1RAB9AHRH4ALDH1A1
SCHEMBL16401451 0.77 CYP19A1 (0.61) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL16864593 0.77 CYP19A1 (0.61) CYP19A1NPC1RAB9AHRH4ALDH1A1
SCHEMBL1242192 0.77 CYP19A1 (0.61) CYP19A1NPC1RAB9AHRH4ALDH1A1
SCHEMBL15836586 0.76 CYP19A1 (0.93) CYP19A1NPC1RAB9AFLT3GSK3B
SCHEMBL12022159 0.76 KCNMA1 (0.69) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL935182 0.76 CYP19A1 (1.00) CYP19A1NPC1RAB9AFLT3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130272961-A1 RADIOIODINATED GUANIDINES GE HEALTHCARE LIMITED (GB) 2013-10-17 — — US disclosed
US-20130272960-A1 RADIOIODINATED FATTY ACIDS GE HEALTHCARE LIMITED (GB) 2013-10-17 — — US disclosed
US-20120251447-A1 RADIOIODINATED TROPANE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-10-04 — — US disclosed
US-20120134923-A1 RADIOIODINATION METHOD GE HEALTHCARE LIMITED (GB) 2012-05-31 — — 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 (4 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-20130272960-A1 RADIOIODINATED FATTY ACIDS FFAR3, FFAR1, FFAR2 CYP19A1 533/4885NPC1 134/4885RAB9A 1311/4885
US-20120251447-A1 RADIOIODINATED TROPANE DERIVATIVES ADRB3, TH, TBXA2R CYP19A1 79/4885NPC1 764/4885RAB9A 3162/4885
US-20130272961-A1 RADIOIODINATED GUANIDINES GUCY1B2, GUCY1A2, GMPS CYP19A1 2805/4885NPC1 431/4885RAB9A 424/4885
US-20120134923-A1 RADIOIODINATION METHOD BTD, BTF3, BTN3A1 CYP19A1 682/4885NPC1 1035/4885RAB9A 1522/4885

“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.

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